(4S,4As,5As,6R,12Ar)-N-[Bis(2-Chloroethylamino)-(4-Hydroxyphenyl)Methyl]-4-(Dimethylamino)-1,6,10,11,12A-Pentahydroxy-6-Methyl-3,12-Dioxo-4,4A,5,5A-Tetrahydrotetracene-1,2,11,11A-Tetraide-2-Carboxamide
Properties
| Property | Value |
|---|---|
| Formula | C33H38Cl2N4O9 |
| IUPAC Name | (4s,4as,5as,6r,12ar)-n-[bis(2-chloroethylamino)-(4-hydroxyphenyl)methyl]-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-1,2,11,11a-tetraide-2-carboxamide |
| Molecular Mass | 705.582 g·mol−1 |
| Heat of Formation | -1452.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.33 ± 1.08 D |
| Volume | 789.06 Å 3 |
| Surface Area | 550.61 Å 2 |
| HOMO Energy | -9.07 ± 0.55 eV |
| LUMO Energy | -0.92 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XKMFWPFIUDWZHE-KIUIHHJVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |