Geometry & MOs

Info

ID:	61524
PubChem CID:	26710224
Reduced:	ClSN4O4C23H25 (1)
Stoich.:	ABC4D4E23F25 (1)
Weight, g/mol:	474.112854
ΔH_f, kcal/mol:	-81.41
Dipole, Da:	4.98
IP(EA), eV:	-9.4(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=NN3CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations