Geometry & MOs

Info

ID:	166010
PubChem CID:	74626249
Reduced:	N3O6C25H27 (1)
Stoich.:	A3B6C25D27 (1)
Weight, g/mol:	451.119793
ΔH_f, kcal/mol:	-142.62
Dipole, Da:	4.57
IP(EA), eV:	-8.48(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(2,4,5-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC(=O)C=CC3=CC(=C(C=C3OC)OC)OC

DOS

IR

Vibrations