Geometry & MOs

Info

ID:	28775
PubChem CID:	829571
Reduced:	SN3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	335.080242
ΔH_f, kcal/mol:	21.36
Dipole, Da:	3.75
IP(EA), eV:	-8.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(4-methylphenyl)-2-thiophen-2-yl-2,3-dihydro-1,5-benzothiazepine

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC3=NC(=NC(=C23)N4CCCC4)C

DOS

IR

Vibrations