Geometry & MOs

Info

ID:

108993

PubChem CID:

50267438

Reduced:

O4F5N5C32H32 (1)

Stoich.:

A4B5C5D32E32 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-366.14

Dipole, Da:

4.79

IP(EA), eV:

 -9.12(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations