Geometry & MOs

Info

ID:	25226
PubChem CID:	621086
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	-57.12
Dipole, Da:	1.62
IP(EA), eV:	-8.72(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-tert-butyl-2-(2,5-dioxopyrrol-1-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1CN2CC3=CC4=C(C=C3C15C2CC(C6C5O6)O)OCO4

DOS

IR

Vibrations