Geometry & MOs

Info

ID:

300461

PubChem CID:

121285141

Reduced:

N5H51C55 (1)

Stoich.:

A5B51C55 (1)

Weight, g/mol:

574.219427

ΔHf, kcal/mol:

155.35

Dipole, Da:

2.87

IP(EA), eV:

 -7.78(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aR,5aR)-7-chloro-4-(dimethylamino)-3,10,11-trihydroxy-8-[[methyl-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]amino]methyl]-1,12-dioxo-4,4a,5,5a,6,12a-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC5=C(C=C4)N(C6=CC=CC=C65)C7=CC8=C(C=C7)N(C9=NC(=NC(=C89)C1CCCCC1)C1CCCCC1)C1=CC=CC=C1)C

DOS

IR

Vibrations