Geometry & MOs

Info

ID:	172304
PubChem CID:	75492479
Reduced:	SN3O6C29H39 (1)
Stoich.:	AB3C6D29E39 (1)
Weight, g/mol:	359.099143
ΔH_f, kcal/mol:	-201.66
Dipole, Da:	5.08
IP(EA), eV:	-8.45(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorobenzoyl)-3-(4-hydroxyphenyl)sulfanylazepan-2-one

Drug info:

PubChemData

Smile

CC(C)NC(=O)[C@H](CCSC)NC1=CC=C2C(=CC1=O)[C@H](CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations