Geometry & MOs

Info

ID:

179416

PubChem CID:

76480774

Reduced:

O3N10H48C53 (1)

Stoich.:

A3B10C48D53 (1)

Weight, g/mol:

587.259128

ΔHf, kcal/mol:

160.26

Dipole, Da:

6.87

IP(EA), eV:

 -7.99(-1.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,7-bis(dimethylamino)-10,12a-dihydroxy-9-[[2-(2-methoxyethylamino)acetyl]amino]-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC2=NC1=CC3=CC=C(N3)C(=C4CCC(=N4)C=C5C=CC(=C2)N5)C(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C(CC8=CNC9=CC=CC=C98)NC(=O)C(CC1=CNC2=CC=CC=C21)N

DOS

IR

Vibrations