Geometry & MOs

Info

ID:	36895
PubChem CID:	8014373
Reduced:	N2S2O3C18H22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	268.084792
ΔH_f, kcal/mol:	-93.58
Dipole, Da:	4.97
IP(EA), eV:	-8.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)SCC(=O)NC2=CC=CC=C2C(C)C

DOS

IR

Vibrations