Geometry & MOs

Info

ID:	61226
PubChem CID:	26707227
Reduced:	ClN3O3C24H26 (1)
Stoich.:	AB3C3D24E26 (1)
Weight, g/mol:	427.112126
ΔH_f, kcal/mol:	-97.96
Dipole, Da:	7.74
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)C[C@@H]2C3=CC=CC=C3C=CN2C(=O)C

DOS

IR

Vibrations