Geometry & MOs

Info

ID:

96380

PubChem CID:

50020289

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-191.08

Dipole, Da:

7.84

IP(EA), eV:

 -8.83(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetamido-4-chloroanilino)-2-oxoethyl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations