Geometry & MOs

Info

ID:

113382

PubChem CID:

50441571

Reduced:

F3O5N6C41H43 (1)

Stoich.:

A3B5C6D41E43 (1)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-287.43

Dipole, Da:

6.77

IP(EA), eV:

 -8.9(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4F)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations