Geometry & MOs

Info

ID:

95345

PubChem CID:

50008527

Reduced:

N5O5C28H37 (1)

Stoich.:

A5B5C28D37 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-190.66

Dipole, Da:

5.84

IP(EA), eV:

 -8.9(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(diethylcarbamoyl)anilino]-1-oxopropan-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(=O)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations