Geometry & MOs

Info

ID:	36357
PubChem CID:	8002237
Reduced:	SN2O3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	363.067364
ΔH_f, kcal/mol:	-124.79
Dipole, Da:	9.27
IP(EA), eV:	-9.14(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1CCC(CC1)N([C@@H]2CCS(=O)(=O)C2)C(=O)CN3CCC4=CC=CC=C4C3

DOS

IR

Vibrations