Geometry & MOs

Info

ID:	194598
PubChem CID:	78559807
Reduced:	ClFNO3H17C19 (1)
Stoich.:	ABCD3E17F19 (1)
Weight, g/mol:	405.077928
ΔH_f, kcal/mol:	-134.31
Dipole, Da:	3.22
IP(EA), eV:	-8.69(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[3-(3-chloro-4-fluorophenyl)prop-2-enoyloxy]acetyl]amino]-4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C=CC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations