Geometry & MOs

Info

ID:	194601
PubChem CID:	78560004
Reduced:	ClFNO5H17C20 (1)
Stoich.:	ABCD5E17F20 (1)
Weight, g/mol:	401.06266
ΔH_f, kcal/mol:	-205.84
Dipole, Da:	3.91
IP(EA), eV:	-9.95(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 3-(2-bromophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C=CC2=CC(=C(C=C2)F)Cl

DOS

IR

Vibrations