Geometry & MOs

Info

ID:

97762

PubChem CID:

50034511

Reduced:

ClFO5N6C43H46 (1)

Stoich.:

ABC5D6E43F46 (1)

Weight, g/mol:

758.279503

ΔHf, kcal/mol:

-210.84

Dipole, Da:

3.88

IP(EA), eV:

 -8.45(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-chlorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)C(C)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=C(C=C6)F)C)C)Cl

DOS

IR

Vibrations