Geometry & MOs

Info

ID:	27389
PubChem CID:	821056
Reduced:	NSO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	320.056385
ΔH_f, kcal/mol:	-38.82
Dipole, Da:	3.13
IP(EA), eV:	-8.6(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2-chloro-5-nitrophenyl)-2-phenoxypropanamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)C2=C(C=C(C=C2)SC)OC

DOS

IR

Vibrations