Geometry & MOs

Info

ID:	81758
PubChem CID:	49855108
Reduced:	SN2O2C23H30 (1)
Stoich.:	AB2C2D23E30 (1)
Weight, g/mol:	455.031116
ΔH_f, kcal/mol:	-29.57
Dipole, Da:	3.68
IP(EA), eV:	-8.52(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(5-chlorothiophen-2-yl)sulfonyl-(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]guanidine

Drug info:

PubChemData

Smile

CN1CCCC(C1)CN(CCC2=CC=CC=C2)S(=O)(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations