Geometry & MOs

Info

ID:	427746
PubChem CID:	135161928
Reduced:	FNPC20H21 (1)
Stoich.:	ABCD20E21 (1)
Weight, g/mol:	465.237604
ΔH_f, kcal/mol:	93.11
Dipole, Da:	3.92
IP(EA), eV:	-8.68(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (5R)-5-[2-[[(3Z)-3-[amino(anilino)methylidene]-2-oxopyridin-4-yl]amino]-1-cyanoethyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

C1CC(C=CC1C2/C=C\C(=C/CC#C2)\C3=C(C(=CC=C3)N)F)P

DOS

IR

Vibrations