Geometry & MOs

Info

ID:	194759
PubChem CID:	78587787
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	414.195486
ΔH_f, kcal/mol:	30.97
Dipole, Da:	4.34
IP(EA), eV:	-8.72(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-[(4-fluorobenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)C=NNC(=O)C2=CC=CC=N2)C

DOS

IR

Vibrations