Geometry & MOs

Info

ID:	365874
PubChem CID:	127319124
Reduced:	NOC3H4 (4)
Stoich.:	ABC3D4 (4)
Weight, g/mol:	399.172896
ΔH_f, kcal/mol:	-129.7
Dipole, Da:	8.06
IP(EA), eV:	-9.04(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-dimethylpropanoyl)-N-(2-pyridin-2-ylsulfanylpyridin-4-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)NCCN2C(=O)CCC2=O

DOS

IR

Vibrations