Geometry & MOs

Info

ID:	311680
PubChem CID:	126596865
Reduced:	INC10H22 (1)
Stoich.:	ABC10D22 (1)
Weight, g/mol:	572.228929
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	2.45
IP(EA), eV:	-8.88(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,12aR)-7-chloro-8-[[cycloheptylmethyl(ethyl)amino]methyl]-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CNCC(C)(C)CI

DOS

IR

Vibrations