Geometry & MOs

Info

ID:	71073
PubChem CID:	48414251
Reduced:	S2O3N4C19H20 (1)
Stoich.:	A2B3C4D19E20 (1)
Weight, g/mol:	376.05349
ΔH_f, kcal/mol:	-33.86
Dipole, Da:	3.45
IP(EA), eV:	-9.04(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations