Geometry & MOs

Info

ID:	83128
PubChem CID:	49857183
Reduced:	ClN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	455.031116
ΔH_f, kcal/mol:	-61.67
Dipole, Da:	2.79
IP(EA), eV:	-9.36(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[[(5-chlorothiophen-2-yl)sulfonyl-(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]guanidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)OCC(CC2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations