Geometry & MOs

Info

ID:

433790

PubChem CID:

135173932

Reduced:

NO3C10H17 (1)

Stoich.:

AB3C10D17 (1)

Weight, g/mol:

1038.488476

ΔHf, kcal/mol:

-78.55

Dipole, Da:

2.67

IP(EA), eV:

-9.9(0.0)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,4R)-4-hydroxy-1-[(2S)-2-[[2-[2-[2-[2-[2-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCCOCCCCC1=NOC=C1

DOS

IR

Vibrations