Geometry & MOs

Info

ID:	31542
PubChem CID:	855848
Reduced:	BrNOSH12C13 (1)
Stoich.:	ABCDE12F13 (1)
Weight, g/mol:	337.124883
ΔH_f, kcal/mol:	-2.28
Dipole, Da:	3.25
IP(EA), eV:	-8.52(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)C2=CC=C(C=C2)Br)N)C

DOS

IR

Vibrations