Geometry & MOs

Info

ID:

99410

PubChem CID:

50050657

Reduced:

F3O5N6C34H37 (1)

Stoich.:

A3B5C6D34E37 (1)

Weight, g/mol:

708.324703

ΔHf, kcal/mol:

-310.16

Dipole, Da:

3.11

IP(EA), eV:

 -8.7(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-fluoro-5-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)NC(=O)C)F

DOS

IR

Vibrations