Geometry & MOs

Info

ID:

107962

PubChem CID:

50225327

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

718.304574

ΔHf, kcal/mol:

-238.09

Dipole, Da:

6.57

IP(EA), eV:

 -9.06(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)C)Cl

DOS

IR

Vibrations