N-{[12-Cyano-7,18-Dimethoxy-6,17,21-Trimethyl-5,8,16,19-Tetraoxo-11,21-Diazapentacyclo[11.7.1.0~2,11~.0~4,9~.0~15,20~]Henicosa-4(9),6,15(20),17-Tetraen-10-Yl]Methyl}-2-Oxopropanamide

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Properties Simple | Detailed

Formula C29H30N4O8
IUPAC Name saframycin a
Molecular Mass 562.570 g·mol−1
Heat of Formation -834.4 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 644.65 Å 3
Surface Area 468.52 Å 2
HOMO Energy -9.58 ± 0.55 eV
LUMO Energy 1.02 ± eV
Point Group Symmetry C1
InChIKey JNEGMBHBUAJRSX-TZDBLYRBSA-N
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