Geometry & MOs

Info

ID:	140258
PubChem CID:	52670371
Reduced:	ClO2N3C22H22 (1)
Stoich.:	AB2C3D22E22 (1)
Weight, g/mol:	427.102434
ΔH_f, kcal/mol:	-34.94
Dipole, Da:	4.09
IP(EA), eV:	-8.35(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)NC(=O)CNC(=O)CC2=CC=CC3=CC=CC=C32)Cl

DOS

IR

Vibrations