Geometry & MOs

Info

ID:

436591

PubChem CID:

135205764

Reduced:

N2O3C14H15 (2)

Stoich.:

A2B3C14D15 (2)

Weight, g/mol:

596.183791

ΔHf, kcal/mol:

-190.79

Dipole, Da:

5.93

IP(EA), eV:

 -9.45(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[4-[5-chloro-2-(4,5-dihydro-1,2-oxazol-3-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]-3-[(2R)-oxan-2-yl]propanoyl]amino]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC(C1CC1)N(CC2=CC=CC=C2)C(=O)CCN3C(=O)C4(CCC5=C4C=CC(=C5)NC(=O)C(=O)N)OC3=O

DOS

IR

Vibrations