Geometry & MOs

Info

ID:

306987

PubChem CID:

125264570

Reduced:

SO3N4H30C31 (1)

Stoich.:

AB3C4D30E31 (1)

Weight, g/mol:

392.170922

ΔHf, kcal/mol:

-18.18

Dipole, Da:

2.94

IP(EA), eV:

 -9.01(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[4-[(3S)-3-methyl-2,3-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]piperazine-1-carbonyl]-3H-1,8-naphthyridin-2-one

Drug info:

PubChemData

Smile

C[C@@H]1C(=C2C=CC=CC2=N1)C(=O)CSC3=NC4=C(C=CC(=C4)C(=O)NC(C)C)C(=O)N3C5=CC(=CC(=C5)C)C

DOS

IR

Vibrations