Geometry & MOs

Info

ID:	194504
PubChem CID:	78546528
Reduced:	NO3C27H27 (1)
Stoich.:	AB3C27D27 (1)
Weight, g/mol:	396.068841
ΔH_f, kcal/mol:	-80.17
Dipole, Da:	6.06
IP(EA), eV:	-9.24(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-chloro-4,5-difluorobenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=CC=CC=C3CC4=CC=CC=C4

DOS

IR

Vibrations