Geometry & MOs

Info

ID:

95058

PubChem CID:

50006081

Reduced:

ClO4N5C28H36 (1)

Stoich.:

AB4C5D28E36 (1)

Weight, g/mol:

570.235746

ΔHf, kcal/mol:

-162.02

Dipole, Da:

6.42

IP(EA), eV:

 -8.94(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-chloro-4-(methylcarbamoyl)anilino]-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)NC(C(C)C)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations