Geometry & MOs

Info

ID:	158455
PubChem CID:	56463678
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	400.283826
ΔH_f, kcal/mol:	-53.59
Dipole, Da:	3.13
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[2-[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations