Geometry & MOs

Info

ID:	157800
PubChem CID:	56437312
Reduced:	FSN2O5H21C22 (1)
Stoich.:	ABC2D5E21F22 (1)
Weight, g/mol:	467.151492
ΔH_f, kcal/mol:	-146.71
Dipole, Da:	6.95
IP(EA), eV:	-9.0(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NC(C#N)C3=CC(=C(C(=C3)OC)OC)OC

DOS

IR

Vibrations