Geometry & MOs

Info

ID:	369066
PubChem CID:	127331207
Reduced:	SO2N3C18H25 (1)
Stoich.:	AB2C3D18E25 (1)
Weight, g/mol:	341.131031
ΔH_f, kcal/mol:	-78.73
Dipole, Da:	3.82
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCCN(CC1)C(=O)NC2CSC3=CC=CC=C23

DOS

IR

Vibrations