Geometry & MOs

Info

ID:	140259
PubChem CID:	52670884
Reduced:	S2N3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	455.133734
ΔH_f, kcal/mol:	-51.37
Dipole, Da:	6.03
IP(EA), eV:	-8.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C)SC3=CC=C(C=C3)OC

DOS

IR

Vibrations