Geometry & MOs

Info

ID:

114242

PubChem CID:

50475036

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

768.320224

ΔHf, kcal/mol:

-240.77

Dipole, Da:

6.86

IP(EA), eV:

 -8.7(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)C)F

DOS

IR

Vibrations