Geometry & MOs

Info

ID:	35323
PubChem CID:	7979688
Reduced:	NOSC9H9 (2)
Stoich.:	ABCD9E9 (2)
Weight, g/mol:	377.077848
ΔH_f, kcal/mol:	-27.66
Dipole, Da:	4.71
IP(EA), eV:	-8.66(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-acetamidophenyl)-2-(4-chloro-2-nitrophenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCCSC2=NC3=CC=CC=C3S2)O

DOS

IR

Vibrations