Geometry & MOs

Info

ID:	46243
PubChem CID:	10523471
Reduced:	SiN2O4C18H38 (1)
Stoich.:	AB2C4D18E38 (1)
Weight, g/mol:	374.121962
ΔH_f, kcal/mol:	-292.78
Dipole, Da:	3.84
IP(EA), eV:	-8.96(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-chlorophenyl)ethylamino]-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C[C@H](CN)O)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations