Geometry & MOs

Info

ID:

320856

PubChem CID:

126663879

Reduced:

ClN2H35C48 (1)

Stoich.:

AB2C35D48 (1)

Weight, g/mol:

549.228657

ΔHf, kcal/mol:

180.73

Dipole, Da:

2.41

IP(EA), eV:

 -7.84(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S,5S)-5-(dimethylamino)-3-[(3R)-5-fluoro-6-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]-1,8-dihydroxy-3-methyl-3,4-dihydronaphthalene-2-carbonyl]-2,3-dihydroxy-4-methyl-6-oxocyclohexene-1-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)C3=CC4=C(C=C3)N(C5=CC=CC=C54)C6=CC=CC=C6)N(C7=C1C=C(C=C7)Cl)C8=CC9=C(C=C8)C1=CC=CC=C1C91CC1)C

DOS

IR

Vibrations