Geometry & MOs

Info

ID:	46076
PubChem CID:	10521208
Reduced:	NSiO4C17H31 (1)
Stoich.:	ABC4D17E31 (1)
Weight, g/mol:	341.085242
ΔH_f, kcal/mol:	-240.66
Dipole, Da:	4.37
IP(EA), eV:	-8.82(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethylpropanoyl 7-chloro-5-methyl-3,4-dihydro-2H-1,5-benzothiazepine-9-carboxylate

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1[C@H](NC1=O)CC(=O)[C@@H]2CCCO2)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations