Geometry & MOs

Info

ID:	156566
PubChem CID:	56371175
Reduced:	BrNSO3C18H20 (1)
Stoich.:	ABCD3E18F20 (1)
Weight, g/mol:	360.135304
ΔH_f, kcal/mol:	-98.58
Dipole, Da:	4.46
IP(EA), eV:	-8.43(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-imidazol-1-ylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)(C)S(=O)(=O)C2=CC=C(C=C2)Br)C

DOS

IR

Vibrations