Geometry & MOs

Info

ID:	36696
PubChem CID:	8011375
Reduced:	FNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	411.125277
ΔH_f, kcal/mol:	-176.47
Dipole, Da:	5.14
IP(EA), eV:	-8.82(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyano-4-imino-2-oxopentyl) 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)COC(=O)CC2=CC=C(C=C2)OC)F

DOS

IR

Vibrations