Geometry & MOs

Info

ID:

117196

PubChem CID:

50594588

Reduced:

Cl2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

778.342103

ΔHf, kcal/mol:

-204.31

Dipole, Da:

9.44

IP(EA), eV:

 -9.03(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations