Geometry & MOs

Info

ID:	327161
PubChem CID:	126689127
Reduced:	NOSC22H29 (2)
Stoich.:	ABCD22E29 (2)
Weight, g/mol:	382.048712
ΔH_f, kcal/mol:	-59.84
Dipole, Da:	3.3
IP(EA), eV:	-7.97(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-4-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN1C2=C(/C(=C/3\C4=C(C5=CC=CC=C5S4)N(C3=O)CCCCCCCCCCCC)/C1=O)SC6=CC=CC=C62

DOS

IR

Vibrations