Geometry & MOs

Info

ID:

118387

PubChem CID:

50641008

Reduced:

ClFO4N5C31H39 (1)

Stoich.:

ABC4D5E31F39 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-203.06

Dipole, Da:

5.11

IP(EA), eV:

 -8.72(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N(C)C)Cl)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)F

DOS

IR

Vibrations