Geometry & MOs

Info

ID:

118643

PubChem CID:

50651875

Reduced:

ClN3O3C16H20 (2)

Stoich.:

AB3C3D16E20 (2)

Weight, g/mol:

728.321974

ΔHf, kcal/mol:

-237.24

Dipole, Da:

5.79

IP(EA), eV:

 -9.27(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(2-methylbutanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations