Geometry & MOs

Info

ID:	70753
PubChem CID:	48413821
Reduced:	SO2N7C19H19 (1)
Stoich.:	AB2C7D19E19 (1)
Weight, g/mol:	382.086639
ΔH_f, kcal/mol:	53.22
Dipole, Da:	2.99
IP(EA), eV:	-9.06(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CC=C

DOS

IR

Vibrations