Geometry & MOs

Info

ID:	177908
PubChem CID:	76250471
Reduced:	S2O4N6C21H28 (1)
Stoich.:	A2B4C6D21E28 (1)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-91.67
Dipole, Da:	3.38
IP(EA), eV:	-8.8(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-cyano-2,4-dimethyl-6-oxopiperidin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C=CCN1C2NN=C(N2C3CCCCC3C1=O)SCC(=O)NCC4=CC(=CC=C4)S(=O)(=O)N

DOS

IR

Vibrations