Geometry & MOs

Info

ID:	194059
PubChem CID:	78475129
Reduced:	ClFNSO3H15C17 (1)
Stoich.:	ABCDE3F15G17 (1)
Weight, g/mol:	413.06417
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	7.42
IP(EA), eV:	-8.87(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 3-[4-(trifluoromethyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CSC2=CC=CC=C2F

DOS

IR

Vibrations