Geometry & MOs

Info

ID:	189347
PubChem CID:	77843655
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	376.13176
ΔH_f, kcal/mol:	-125.22
Dipole, Da:	2.58
IP(EA), eV:	-8.78(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6,6-dioxo-1-(pyridin-2-ylmethyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-2-(1,2,4-triazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SC2CCN(CC2)C(=O)CN3CCC(=O)NC3=O

DOS

IR

Vibrations