Geometry & MOs

Info

ID:	28255
PubChem CID:	826557
Reduced:	NSO2H19C21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	274.012222
ΔH_f, kcal/mol:	-11.63
Dipole, Da:	4.81
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)acetic acid

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC=CC=C2SC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations