Geometry & MOs

Info

ID:	268331
PubChem CID:	103598950
Reduced:	ClSO2N3C16H16 (1)
Stoich.:	ABC2D3E16F16 (1)
Weight, g/mol:	376.098998
ΔH_f, kcal/mol:	-38.42
Dipole, Da:	5.07
IP(EA), eV:	-8.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CNC(=O)C=CC2=CSC(=N2)C)Cl

DOS

IR

Vibrations