Geometry & MOs

Info

ID:	214478
PubChem CID:	85083106
Reduced:	FN3O4H30C32 (1)
Stoich.:	AB3C4D30E32 (1)
Weight, g/mol:	539.263151
ΔH_f, kcal/mol:	-77.15
Dipole, Da:	3.65
IP(EA), eV:	-8.15(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-oxo-2-(phenylmethoxyamino)ethyl]heptanoyl]-1-phenylmethoxycarbonyldiazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCC1=CC=C(C=C1)NC(=O)C2C=CC=C3C2=NC4=C(C3=O)C=CC=C4F)CC5=CC(=C(C=C5)OC)OC

DOS

IR

Vibrations