Geometry & MOs

Info

ID:

436790

PubChem CID:

135211548

Reduced:

ClN4O7C29H29 (1)

Stoich.:

AB4C7D29E29 (1)

Weight, g/mol:

632.17618

ΔHf, kcal/mol:

-178.35

Dipole, Da:

9.22

IP(EA), eV:

 -9.08(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-[4-[5-chloro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-5-methoxy-2-oxopyridin-1-yl]-4-methoxybutanoyl]amino]-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OCCC(C(=O)NC1=CN=C(C=C1)C(=O)O)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)C4=NOC=C4)OC

DOS

IR

Vibrations