Geometry & MOs

Info

ID:

112457

PubChem CID:

50407889

Reduced:

N6O6C31H42 (1)

Stoich.:

A6B6C31D42 (1)

Weight, g/mol:

580.300933

ΔHf, kcal/mol:

-238.61

Dipole, Da:

9.19

IP(EA), eV:

 -8.38(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-methoxy-3-(propanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C(C)C)C(=O)NC

DOS

IR

Vibrations