Geometry & MOs

Info

ID:	61127
PubChem CID:	26705893
Reduced:	ClNOF2H10C14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	341.126323
ΔH_f, kcal/mol:	-102.24
Dipole, Da:	5.22
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C=CC(=C2)Cl)F

DOS

IR

Vibrations