Geometry & MOs

Info

ID:	34169
PubChem CID:	7890149
Reduced:	SN2O4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	307.077535
ΔH_f, kcal/mol:	-96.43
Dipole, Da:	4.29
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-chloro-2-fluorophenyl)-2-phenoxybutanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H](C)OC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations