Geometry & MOs

Info

ID:	73441
PubChem CID:	48417707
Reduced:	ClO2N3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	415.112126
ΔH_f, kcal/mol:	-16.55
Dipole, Da:	3.77
IP(EA), eV:	-8.14(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(1-phenylethylamino)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)NC2=CC(=C(C=C2)NC(C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations