Geometry & MOs

Info

ID:	368282
PubChem CID:	127327866
Reduced:	S2N3O3C16H31 (1)
Stoich.:	A2B3C3D16E31 (1)
Weight, g/mol:	387.146203
ΔH_f, kcal/mol:	-160.21
Dipole, Da:	8.41
IP(EA), eV:	-8.6(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1CCN(CC1)C(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations