Geometry & MOs

Info

ID:	70857
PubChem CID:	48413962
Reduced:	OSN5H17C18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	80.76
Dipole, Da:	6.29
IP(EA), eV:	-8.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4

DOS

IR

Vibrations