Geometry & MOs

Info

ID:	133363
PubChem CID:	51515376
Reduced:	O2N4C22H29 (1)
Stoich.:	A2B4C22D29 (1)
Weight, g/mol:	351.043953
ΔH_f, kcal/mol:	-33.25
Dipole, Da:	9.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758773
Charge, e:	-1

Chem-info

IUPAC name:

3-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethoxy]naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CN1CCCC2=C1C=CC(=C2)[C@@H](CNC(=O)C(=O)NC3=CC=CC=C3)[NH+](C)C

DOS

IR

Vibrations