Geometry & MOs

Info

ID:	32772
PubChem CID:	7848209
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	350.130028
ΔH_f, kcal/mol:	-228.71
Dipole, Da:	6.08
IP(EA), eV:	-8.99(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1COC(=O)CCC(C)C)C(=O)NC)N

DOS

IR

Vibrations