Geometry & MOs

Info

ID:

108858

PubChem CID:

50261541

Reduced:

ClF2O5N6C33H35 (1)

Stoich.:

AB2C5D6E33F35 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-264.65

Dipole, Da:

3.97

IP(EA), eV:

 -9.05(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(2-methoxybenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)C(=O)N)Cl

DOS

IR

Vibrations