Geometry & MOs

Info

ID:

313500

PubChem CID:

126615124

Reduced:

SC32H39 (2)

Stoich.:

AB32C39 (2)

Weight, g/mol:

523.195249

ΔHf, kcal/mol:

256.05

Dipole, Da:

1.55

IP(EA), eV:

 -6.8(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(5R)-5-[[3,5-difluoro-4-(trimethyl-lambda4-sulfanyl)phenyl]carbamoyl]-2-(methoxymethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCS(C#CC1=C2C=CC3=C4C2=C(C=CC4=C(C5=CC6=CC=CC=C6C=C35)C#CS(CCCCCCCC)(C(C)C)C(C)C)C7=CC8=CC=CC=C8C=C71)(C(C)C)C(C)C

DOS

IR

Vibrations