Geometry & MOs

Info

ID:	136689
PubChem CID:	52085407
Reduced:	N2S2O3C22H22 (1)
Stoich.:	A2B2C3D22E22 (1)
Weight, g/mol:	398.11227
ΔH_f, kcal/mol:	-21.16
Dipole, Da:	5.96
IP(EA), eV:	-8.29(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-benzyl-2-sulfanylidene-1,3-thiazol-4-yl)methyl]-2-propoxybenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CSC2=S)CNC(=O)/C=C/C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations