Geometry & MOs

Info

ID:	60509
PubChem CID:	26697111
Reduced:	ClSN4O4C23H30 (1)
Stoich.:	ABC4D4E23F30 (1)
Weight, g/mol:	492.159804
ΔH_f, kcal/mol:	-90.31
Dipole, Da:	5.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753857
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(2-morpholin-4-ylethyl)-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide

Drug info:

PubChemData

Smile

C1COCC[NH+]1CCNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations