Geometry & MOs

Info

ID:	430177
PubChem CID:	135170240
Reduced:	NSO4H21C25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	361.11365
ΔH_f, kcal/mol:	-45.34
Dipole, Da:	6.33
IP(EA), eV:	-8.49(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[(2E,4E)-5-hydroxyhexa-2,4-dien-3-yl]-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

Drug info:

PubChemData

Smile

C/C=C(\C=C(/C=C)\OC)/C1C2=C(C3=C(C2=O)C=C(C=C3)C(=O)O)NC4=CC=CC=C4S1

DOS

IR

Vibrations