Geometry & MOs

Info

ID:	61210
PubChem CID:	26707126
Reduced:	ClSO2N4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	474.193487
ΔH_f, kcal/mol:	-68.7
Dipole, Da:	5.23
IP(EA), eV:	-8.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzotriazol-1-ylmethyl)-N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CN3CCSC3=O

DOS

IR

Vibrations