Geometry & MOs

Info

ID:

107882

PubChem CID:

50222600

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

712.394833

ΔHf, kcal/mol:

-272.17

Dipole, Da:

6.63

IP(EA), eV:

 -9.25(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-methoxy-3-[(4-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations