Geometry & MOs

Info

ID:	32761
PubChem CID:	7848107
Reduced:	SN2O5H20C21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	370.044585
ΔH_f, kcal/mol:	-150.94
Dipole, Da:	4.66
IP(EA), eV:	-9.1(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-benzothiazol-2-ylmethyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

DOS

IR

Vibrations