Geometry & MOs

Info

ID:	133491
PubChem CID:	51535061
Reduced:	NCl3O3H14C18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	445.068547
ΔH_f, kcal/mol:	-98.01
Dipole, Da:	2.72
IP(EA), eV:	-8.62(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC2=CC=CC=C21)OC(=O)C3=C(C=CC(=C3Cl)Cl)Cl

DOS

IR

Vibrations