Geometry & MOs

Info

ID:

96676

PubChem CID:

50023412

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-274.48

Dipole, Da:

5.92

IP(EA), eV:

 -8.96(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-methyl-4-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations