Geometry & MOs

Info

ID:

447377

PubChem CID:

135282453

Reduced:

Cl2N3O4H25C26 (1)

Stoich.:

A2B3C4D25E26 (1)

Weight, g/mol:

492.213948

ΔHf, kcal/mol:

-113.31

Dipole, Da:

0.62

IP(EA), eV:

 -9.65(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[5-chloro-6-[(2S)-2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]pyridin-3-yl]pyridin-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CCNC(=O)C(C)(C1=CC2=C(C=C1)[C@@](N(C2=O)CC3=NC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)OC)O

DOS

IR

Vibrations