Geometry & MOs

Info

ID:

109074

PubChem CID:

50271416

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-189.67

Dipole, Da:

4.99

IP(EA), eV:

 -8.64(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)Cl)C(=O)NC(C)C)C

DOS

IR

Vibrations