Geometry & MOs

Info

ID:	143900
PubChem CID:	53278762
Reduced:	SN2O5C17H26 (1)
Stoich.:	AB2C5D17E26 (1)
Weight, g/mol:	458.198777
ΔH_f, kcal/mol:	-200.33
Dipole, Da:	5.01
IP(EA), eV:	-8.81(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CCC(C(=O)N1CCOCC1)N(C2=CC=C(C=C2)OCC)S(=O)(=O)C

DOS

IR

Vibrations