Geometry & MOs

Info

ID:

109941

PubChem CID:

50302630

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-206.85

Dipole, Da:

8.59

IP(EA), eV:

 -8.32(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[2-chloro-5-(cyclohexanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)C(=O)N(C)C

DOS

IR

Vibrations