Geometry & MOs

Info

ID:	134952
PubChem CID:	51789022
Reduced:	ClN2O5C23H23 (1)
Stoich.:	AB2C5D23E23 (1)
Weight, g/mol:	430.148177
ΔH_f, kcal/mol:	-144.61
Dipole, Da:	6.58
IP(EA), eV:	-8.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-3-sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=CO1)N(C2=CC=CC=C2Cl)C(=O)C3=C(C(=CC=C3)O)O

DOS

IR

Vibrations