Geometry & MOs

Info

ID:	17535
PubChem CID:	503680
Reduced:	N2S2O5H18C23 (1)
Stoich.:	A2B2C5D18E23 (1)
Weight, g/mol:	466.065714
ΔH_f, kcal/mol:	-87.09
Dipole, Da:	6.95
IP(EA), eV:	-8.88(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[2-(1,3-dioxoisoindol-2-yl)ethyl] N-(3-methoxyphenyl)-N-(thiophene-2-carbonyl)carbamothioate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N(C(=O)C2=CC=CS2)C(=S)OCCN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations