Geometry & MOs

Info

ID:	192318
PubChem CID:	78256889
Reduced:	ClSO2N6C25H25 (1)
Stoich.:	ABC2D6E25F25 (1)
Weight, g/mol:	365.095989
ΔH_f, kcal/mol:	26.34
Dipole, Da:	9.72
IP(EA), eV:	-8.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=CC=C2)Cl)C)C=C3C(=N)N4C(=NC3=O)SC(=CC(=O)N5CCCCC5)N4

DOS

IR

Vibrations