Geometry & MOs

Info

ID:	135972
PubChem CID:	51961244
Reduced:	SN4O4C24H26 (1)
Stoich.:	AB4C4D24E26 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	-95.81
Dipole, Da:	9.53
IP(EA), eV:	-9.13(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(6-methylpyridin-2-yl)-1-[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)NC(=O)CN[C@@H](C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)S(=O)(=O)N

DOS

IR

Vibrations