Geometry & MOs

Info

ID:	430223
PubChem CID:	135170287
Reduced:	FNSO3H14C22 (1)
Stoich.:	ABCD3E14F22 (1)
Weight, g/mol:	375.145699
ΔH_f, kcal/mol:	-56.03
Dipole, Da:	8.76
IP(EA), eV:	-9.13(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethenyl-2-(4-fluorocyclohexa-2,4-dien-1-yl)-4-(2-methylphenyl)-2,5-dihydro-1,5-benzothiazepine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C2=O)C(S(=O)(=O)C4=CC=CC=C4N3)C5=CC=C(C=C5)F

DOS

IR

Vibrations