Geometry & MOs

Info

ID:	194669
PubChem CID:	78572242
Reduced:	NSO2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	323.093327
ΔH_f, kcal/mol:	-11.71
Dipole, Da:	2.33
IP(EA), eV:	-9.01(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C)OC(=O)C=CC2=NC3=CC=CC=C3S2)C

DOS

IR

Vibrations