Geometry & MOs

Info

ID:	320817
PubChem CID:	126663735
Reduced:	ON2Br3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	516.166329
ΔH_f, kcal/mol:	-34.26
Dipole, Da:	4.48
IP(EA), eV:	-8.84(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,12aS)-7-chloro-3,10,11,12a-tetrahydroxy-12-oxo-8-[(4-oxoazepan-1-yl)methyl]-1,4,4a,5,5a,6-hexahydrotetracene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=C(C(=C1Br)Br)Br)CCCN2CN3CCC(CC3)O

DOS

IR

Vibrations