Geometry & MOs

Info

ID:	360514
PubChem CID:	127301159
Reduced:	SN3O3C14H15 (1)
Stoich.:	AB3C3D14E15 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-102.63
Dipole, Da:	3.81
IP(EA), eV:	-8.52(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CN(C(=O)NC1=O)CC(=O)N2CCSC3=CC=CC=C32

DOS

IR

Vibrations