Geometry & MOs

Info

ID:	33914
PubChem CID:	7888714
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	370.092204
ΔH_f, kcal/mol:	-132.2
Dipole, Da:	7.03
IP(EA), eV:	-9.28(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations