Geometry & MOs

Info

ID:	178091
PubChem CID:	76275895
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	478.18054
ΔH_f, kcal/mol:	-46.18
Dipole, Da:	2.43
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)sulfonylamino]-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)C1CCCN1C(=O)C2=CC=CS2)C3=CC=CC=C3C

DOS

IR

Vibrations