Geometry & MOs

Info

ID:	128155
PubChem CID:	51033013
Reduced:	N2O5H8C9 (1)
Stoich.:	A2B5C8D9 (1)
Weight, g/mol:	517.218841
ΔH_f, kcal/mol:	-66.6
Dipole, Da:	3.04
IP(EA), eV:	-10.45(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R)-1-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-1-oxopent-4-en-2-yl]-3-(4-methoxyphenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C/C(=N\O)/C(=O)O

DOS

IR

Vibrations