Geometry & MOs

Info

ID:

95015

PubChem CID:

50005747

Reduced:

Cl2O4N5C28H35 (1)

Stoich.:

A2B4C5D28E35 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-173.82

Dipole, Da:

11.37

IP(EA), eV:

 -8.92(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(diethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations