Geometry & MOs

Info

ID:	61325
PubChem CID:	26708197
Reduced:	OSF2N2H16C19 (1)
Stoich.:	ABC2D2E16F19 (1)
Weight, g/mol:	347.1333
ΔH_f, kcal/mol:	-66.14
Dipole, Da:	5.0
IP(EA), eV:	-9.15(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-3-(3,5-dimethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC(=C(S1)C(=O)N[C@H](C)C2=CC(=C(C=C2)F)F)C3=CC=CC=C3

DOS

IR

Vibrations