Geometry & MOs

Info

ID:	52819
PubChem CID:	14709007
Reduced:	ClNSO4H16C21 (1)
Stoich.:	ABCD4E16F21 (1)
Weight, g/mol:	442.98269
ΔH_f, kcal/mol:	-104.81
Dipole, Da:	2.36
IP(EA), eV:	-8.54(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations