Geometry & MOs

Info

ID:	430163
PubChem CID:	135170226
Reduced:	N3C23H31 (1)
Stoich.:	A3B23C31 (1)
Weight, g/mol:	423.025141
ΔH_f, kcal/mol:	10.86
Dipole, Da:	1.0
IP(EA), eV:	-8.03(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dichloro-11-(3-methylphenyl)-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-12-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1CN3CCCC3)N=C(C4=C2CCC4)NC5CCCC5

DOS

IR

Vibrations