Geometry & MOs

Info

ID:	370832
PubChem CID:	127341023
Reduced:	SN3O4C11H19 (1)
Stoich.:	AB3C4D11E19 (1)
Weight, g/mol:	368.122835
ΔH_f, kcal/mol:	-165.66
Dipole, Da:	6.24
IP(EA), eV:	-9.89(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1CN(CCS1(=O)=O)CC(=O)N2CCNC(=O)C2

DOS

IR

Vibrations