Geometry & MOs

Info

ID:	169618
PubChem CID:	75126571
Reduced:	SN4O4C24H30 (1)
Stoich.:	AB4C4D24E30 (1)
Weight, g/mol:	317.122735
ΔH_f, kcal/mol:	-130.68
Dipole, Da:	6.05
IP(EA), eV:	-9.18(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3,4-difluorophenyl)ethyl]-3-(3-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)N(CC3=CC=CC=C3)C4C(N(C(=O)NC4=O)CCOC)N

DOS

IR

Vibrations