Geometry & MOs

Info

ID:

117548

PubChem CID:

50606996

Reduced:

ClN5O5C25H30 (1)

Stoich.:

AB5C5D25E30 (1)

Weight, g/mol:

750.310803

ΔHf, kcal/mol:

-180.61

Dipole, Da:

5.88

IP(EA), eV:

 -8.51(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[2-[(3,4-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)OC)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations