Geometry & MOs

Info

ID:	28776
PubChem CID:	829573
Reduced:	NS2H17C20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	335.080242
ΔH_f, kcal/mol:	85.94
Dipole, Da:	3.0
IP(EA), eV:	-8.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S[C@H](C2)C4=CC=CS4

DOS

IR

Vibrations