Geometry & MOs

Info

ID:	52818
PubChem CID:	14709005
Reduced:	NSO4H17C21 (1)
Stoich.:	ABC4D17E21 (1)
Weight, g/mol:	413.048857
ΔH_f, kcal/mol:	-95.34
Dipole, Da:	0.39
IP(EA), eV:	-8.43(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[(4-chlorophenyl)-hydroxymethylidene]-6-methyl-1-oxothieno[2,3-b]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=C(C=CN2C3=C1S/C(=C(\C4=CC=CC=C4)/O)/C3=O)C

DOS

IR

Vibrations