Geometry & MOs

Info

ID:

94982

PubChem CID:

50005446

Reduced:

O5N6C28H36 (1)

Stoich.:

A5B6C28D36 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-189.83

Dipole, Da:

10.82

IP(EA), eV:

 -8.94(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(dimethylcarbamoyl)-2-methylanilino]-3-oxopropyl]-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)NCCC(=O)NC3=C(C=C(C=C3)C(=O)N)C

DOS

IR

Vibrations