Geometry & MOs

Info

ID:	194600
PubChem CID:	78559945
Reduced:	ClNO2C9H11 (2)
Stoich.:	ABC2D9E11 (2)
Weight, g/mol:	405.077928
ΔH_f, kcal/mol:	-180.4
Dipole, Da:	5.1
IP(EA), eV:	-9.25(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)COC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)Cl)C

DOS

IR

Vibrations