Geometry & MOs

Info

ID:	359234
PubChem CID:	127297731
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-49.9
Dipole, Da:	4.83
IP(EA), eV:	-8.79(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3-methylcyclohexyl)amino]-2-oxoethyl]-N-(2-methylcyclopropyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)NCC2CCOC3=CC=CC=C23

DOS

IR

Vibrations