Geometry & MOs

Info

ID:	362141
PubChem CID:	127305823
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-47.34
Dipole, Da:	4.48
IP(EA), eV:	-9.11(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6-dimethyl-2-oxo-5-[3-oxo-3-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]propyl]-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C(=O)N2CCCC(C2)C(=O)N3CCCC3)C4=CC=CC=C4

DOS

IR

Vibrations