Geometry & MOs

Info

ID:	73447
PubChem CID:	48417725
Reduced:	ClO2N4C22H23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	371.085911
ΔH_f, kcal/mol:	-15.17
Dipole, Da:	3.9
IP(EA), eV:	-8.59(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-(1-phenylethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C=CC(=N1)C(=O)NC2=CC(=C(C=C2)NC(C)C3=CC=CC=C3)Cl

DOS

IR

Vibrations