Geometry & MOs

Info

ID:	243850
PubChem CID:	99289375
Reduced:	ClSN3O4C21H24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-95.86
Dipole, Da:	2.91
IP(EA), eV:	-8.48(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(3S)-1-cyclopropylpyrrolidin-3-yl]carbamoyl]phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N[C@@H]3CCN(C3)C4CC4)Cl

DOS

IR

Vibrations