Geometry & MOs

Info

ID:

224126

PubChem CID:

85338521

Reduced:

O11C36H58 (1)

Stoich.:

A11B36C58 (1)

Weight, g/mol:

668.305527

ΔHf, kcal/mol:

-576.89

Dipole, Da:

3.16

IP(EA), eV:

 -10.3(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-butylsulfonyl-1-[[1-(3,5-difluorophenyl)-3,4-dihydroxy-6-methyl-5-(2-methylpropylcarbamoyl)heptan-2-yl]amino]-1-oxopropan-2-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O.C1CC(=O)OC2C1C(C(C2)O)CCC(=O)CCCCC(=O)O

DOS

IR

Vibrations