Geometry & MOs

Info

ID:	272969
PubChem CID:	103769330
Reduced:	BrNSO2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	336.9869
ΔH_f, kcal/mol:	-77.16
Dipole, Da:	3.31
IP(EA), eV:	-9.39(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-(2-chloro-5-methylphenyl)-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NC(C)C2CCOCC2)Br

DOS

IR

Vibrations