Geometry & MOs

Info

ID:

119648

PubChem CID:

50695277

Reduced:

ClO4N5C34H48 (1)

Stoich.:

AB4C5D34E48 (1)

Weight, g/mol:

631.26921

ΔHf, kcal/mol:

-191.82

Dipole, Da:

7.64

IP(EA), eV:

 -8.98(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-N-[1-(3-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC=C3C(C)C

DOS

IR

Vibrations