Geometry & MOs

Info

ID:	133080
PubChem CID:	51474330
Reduced:	SCl2N3O3H21C22 (1)
Stoich.:	AB2C3D3E21F22 (1)
Weight, g/mol:	477.068068
ΔH_f, kcal/mol:	-76.64
Dipole, Da:	7.45
IP(EA), eV:	-8.86(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC(=O)NC1=NC=C(S1)CC2=C(C=CC(=C2)Cl)Cl)C3=CC=C(C=C3)OC

DOS

IR

Vibrations