Geometry & MOs

Info

ID:	35943
PubChem CID:	7980526
Reduced:	N2O3H16C21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	361.098394
ΔH_f, kcal/mol:	-19.25
Dipole, Da:	3.89
IP(EA), eV:	-9.25(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations