Geometry & MOs

Info

ID:	157648
PubChem CID:	56436265
Reduced:	SN3O5C25H31 (1)
Stoich.:	AB3C5D25E31 (1)
Weight, g/mol:	427.100205
ΔH_f, kcal/mol:	-157.79
Dipole, Da:	5.28
IP(EA), eV:	-8.93(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano-(3,4,5-trimethoxyphenyl)methyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)C(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)NCC

DOS

IR

Vibrations