Geometry & MOs

Info

ID:	148816
PubChem CID:	53788485
Reduced:	SCl3N4O4C34H37 (1)
Stoich.:	AB3C4D4E34F37 (1)
Weight, g/mol:	462.058711
ΔH_f, kcal/mol:	-107.19
Dipole, Da:	6.68
IP(EA), eV:	-8.75(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(4-chloro-1-benzothiophen-2-yl)sulfonyl]-2-oxopiperazin-1-yl]methyl]benzenecarboximidamide

Drug info:

PubChemData

Smile

CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)NC2=CC=CC(=C2)C(=O)NC3=C(C(=O)N(N3)C4=C(C=C(C=C4Cl)Cl)Cl)S)C(C)(C)CC

DOS

IR

Vibrations