Geometry & MOs

Info

ID:

100722

PubChem CID:

50063803

Reduced:

ClF2O5N6C41H43 (1)

Stoich.:

AB2C5D6E41F43 (1)

Weight, g/mol:

772.295152

ΔHf, kcal/mol:

-259.86

Dipole, Da:

11.68

IP(EA), eV:

 -8.84(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations