Geometry & MOs

Info

ID:	430300
PubChem CID:	135170364
Reduced:	N3C26H39 (1)
Stoich.:	A3B26C39 (1)
Weight, g/mol:	373.130049
ΔH_f, kcal/mol:	-17.36
Dipole, Da:	1.32
IP(EA), eV:	-8.05(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-2-(3-fluorophenyl)-4-(2-methylphenyl)-2,5-dihydro-1,5-benzothiazepine

Drug info:

PubChemData

Smile

CCC1=CC2=C(C=C1CCCCN3CCCCC3)N=C(C4=C2CCC4)NC(C)C

DOS

IR

Vibrations