Geometry & MOs

Info

ID:	369090
PubChem CID:	127331249
Reduced:	S2N3O3C17H25 (1)
Stoich.:	A2B3C3D17E25 (1)
Weight, g/mol:	343.146681
ΔH_f, kcal/mol:	-115.08
Dipole, Da:	7.04
IP(EA), eV:	-8.52(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)C(=O)NC2CSC3=CC=CC=C23)S(=O)(=O)C

DOS

IR

Vibrations