Geometry & MOs

Info

ID:

95640

PubChem CID:

50011071

Reduced:

ClO5N6C28H35 (1)

Stoich.:

AB5C6D28E35 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-199.52

Dipole, Da:

5.74

IP(EA), eV:

 -8.76(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(2-methylbutanoylamino)anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C)Cl

DOS

IR

Vibrations