Geometry & MOs

Info

ID:	175198
PubChem CID:	75865404
Reduced:	SO2N5H17C21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	443.253255
ΔH_f, kcal/mol:	80.14
Dipole, Da:	8.98
IP(EA), eV:	-8.98(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-4-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)NC3=NN=CS3)C4=CC=CC=C4

DOS

IR

Vibrations