Geometry & MOs

Info

ID:	79259
PubChem CID:	49747713
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-35.7
Dipole, Da:	1.74
IP(EA), eV:	-8.92(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-N'-[3-(2-oxopiperidin-1-yl)phenyl]oxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CNC(=O)C(=O)NCC2=CSC=C2)N(C)C

DOS

IR

Vibrations