Geometry & MOs

Info

ID:	35483
PubChem CID:	7979933
Reduced:	SN4O4H18C19 (1)
Stoich.:	AB4C4D18E19 (1)
Weight, g/mol:	396.087685
ΔH_f, kcal/mol:	-64.66
Dipole, Da:	4.95
IP(EA), eV:	-9.4(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chloro-2-nitrophenoxy)-N-(2-phenylphenyl)propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)CCC(=O)C3=CC=CS3

DOS

IR

Vibrations