Geometry & MOs

Info

ID:	167197
PubChem CID:	74793218
Reduced:	FSN2O3C22H23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	492.169665
ΔH_f, kcal/mol:	-90.15
Dipole, Da:	3.2
IP(EA), eV:	-8.88(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(2,3-dimethoxybenzoyl)amino]methyl]-5-[3-(3-fluorophenyl)prop-2-enoylamino]benzoate

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2CC(CN2CC3=CC4=C(C=C3)OCO4)SC5=CC=C(C=C5)F

DOS

IR

Vibrations