{6-[(4-Hydroxyphenyl)Amino]-8A-Methoxy-5-Methyl-4,7-Dioxo-1,1A,2,4,7,8,8A,8B-Octahydroazireno[2',3':3,4]Pyrrolo[1,2-A]Indol-8-Yl}Methyl Carbamate

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Properties Simple | Detailed

Formula C21H22N4O6
IUPAC Name [(4r,6r,7r,8s)-11-(4-hydroxyanilino)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl]methyl carbamate
Molecular Mass 426.423 g·mol−1
Heat of Formation -535.9 ± 16.7 kJ·mol−1
Dipole Moment 2.98 ± 1.08 D
Volume 474.66 Å 3
Surface Area 387.18 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
InChIKey HNTGDFCASLOZEZ-RQPRICHHSA-N
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