Geometry & MOs

Info

ID:	383202
PubChem CID:	134974784
Reduced:	ClNOH14C20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	467.125003
ΔH_f, kcal/mol:	20.83
Dipole, Da:	3.3
IP(EA), eV:	-8.91(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetamido-2,3-diacetyloxy-5-(3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylcyclohexyl]methyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C(C2=O)C=CC(=C4)Cl

DOS

IR

Vibrations