Geometry & MOs

Info

ID:	430217
PubChem CID:	135170281
Reduced:	NH25C28 (1)
Stoich.:	AB25C28 (1)
Weight, g/mol:	354.11907
ΔH_f, kcal/mol:	98.66
Dipole, Da:	1.11
IP(EA), eV:	-7.84(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(12-methylidene-5,11-dihydroindeno[2,1-c][1,5]benzothiazepin-11-yl)aniline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C4=CC=CC(=C4)C=C

DOS

IR

Vibrations