Geometry & MOs

Info

ID:	430102
PubChem CID:	135170159
Reduced:	SN2C21H30 (1)
Stoich.:	AB2C21D30 (1)
Weight, g/mol:	449.108565
ΔH_f, kcal/mol:	22.03
Dipole, Da:	2.01
IP(EA), eV:	-8.32(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,10-dioxo-11-(4-phenylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

Drug info:

PubChemData

Smile

CC1=C(CCC1)C2=C(C=C(C(=C2)S)CCCCN3CCCC3)N=C

DOS

IR

Vibrations