Geometry & MOs

Info

ID:	362684
PubChem CID:	127309094
Reduced:	FSO2N3C20H24 (1)
Stoich.:	ABC2D3E20F24 (1)
Weight, g/mol:	373.130553
ΔH_f, kcal/mol:	-100.93
Dipole, Da:	3.72
IP(EA), eV:	-9.03(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C(CCC2)N(C)C(=O)NC3CCCOC4=C3C=C(C=C4)F

DOS

IR

Vibrations