Geometry & MOs

Info

ID:

94485

PubChem CID:

50001977

Reduced:

ClO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-228.44

Dipole, Da:

14.89

IP(EA), eV:

 -8.75(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-acetamido-2-chloroanilino)-3-oxopropyl]-1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations