Geometry & MOs

Info

ID:	28336
PubChem CID:	827081
Reduced:	OS2H10C12 (1)
Stoich.:	AB2C10D12 (1)
Weight, g/mol:	319.106457
ΔH_f, kcal/mol:	12.18
Dipole, Da:	0.88
IP(EA), eV:	-8.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10R)-10-[3-(dimethylamino)propyl]-5H-thieno[2,3-c][2]benzothiepin-10-ol

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2[C@H](C3=C(S1)SC=C3)O

DOS

IR

Vibrations