Geometry & MOs

Info

ID:	430221
PubChem CID:	135170285
Reduced:	NBr2C45H57 (1)
Stoich.:	AB2C45D57 (1)
Weight, g/mol:	367.139471
ΔH_f, kcal/mol:	1.77
Dipole, Da:	3.81
IP(EA), eV:	-8.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(3,5-dimethylphenyl)-12-methylidene-5,11-dihydroindeno[2,1-c][1,5]benzothiazepine

Drug info:

PubChemData

Smile

CCCCCCC1(C2=C(C=CC(=C2)C(C)(C)C)C3=C1C=C(C=C3N(C4=CC=C(C=C4)Br)C5=CC=C(C=C5)Br)C(C)(C)C)CCCCCC

DOS

IR

Vibrations