Geometry & MOs

Info

ID:	70175
PubChem CID:	47208440
Reduced:	FOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	313.013969
ΔH_f, kcal/mol:	-45.47
Dipole, Da:	2.06
IP(EA), eV:	-9.68(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)methyl]-3-(2,6-difluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NCCC2=CC(=CC=C2)F

DOS

IR

Vibrations