Geometry & MOs

Info

ID:	231953
PubChem CID:	87574984
Reduced:	NSO5C26H31 (1)
Stoich.:	ABC5D26E31 (1)
Weight, g/mol:	341.11757
ΔH_f, kcal/mol:	-199.43
Dipole, Da:	5.58
IP(EA), eV:	-9.56(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-fluoro-2-oxo-1H-pyridin-3-yl)amino]-4-(1-phenylpropylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC(=O)S[C@@]1(CCC[C@@]1(CCCNC(=O)OCC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3

DOS

IR

Vibrations