Geometry & MOs

Info

ID:	350679
PubChem CID:	127278967
Reduced:	SN3O5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	368.119464
ΔH_f, kcal/mol:	-155.26
Dipole, Da:	4.52
IP(EA), eV:	-8.57(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dimethyl-2,3-dihydro-1-benzofuran-3-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(CO2)NC(=O)[C@H](C)NS(=O)(=O)C3=C(ON=C3C)C)C

DOS

IR

Vibrations