Geometry & MOs

Info

ID:	363430
PubChem CID:	127311233
Reduced:	OS2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	399.219178
ΔH_f, kcal/mol:	52.84
Dipole, Da:	5.14
IP(EA), eV:	-8.98(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylsulfonylpiperidin-4-yl)methyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC=CN2)C(=O)C3=CN=C(S3)C4=CSC=C4

DOS

IR

Vibrations