Geometry & MOs

Info

ID:

436605

PubChem CID:

135206013

Reduced:

N5O8C35H39 (1)

Stoich.:

A5B8C35D39 (1)

Weight, g/mol:

564.168809

ΔHf, kcal/mol:

-211.3

Dipole, Da:

6.94

IP(EA), eV:

 -8.74(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-(4-fluoroimidazol-1-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@@H](C(C(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O)OC(CO)CO

DOS

IR

Vibrations