Geometry & MOs

Info

ID:	430218
PubChem CID:	135170282
Reduced:	SN2H18C23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	369.155121
ΔH_f, kcal/mol:	108.5
Dipole, Da:	3.55
IP(EA), eV:	-8.01(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=C1C2=CC=CC=C2C3=C1C(SC4=CC=CC=C4N3)C5=CC(=CC=C5)N

DOS

IR

Vibrations