Geometry & MOs

Info

ID:

104678

PubChem CID:

50104870

Reduced:

N5O5C35H43 (1)

Stoich.:

A5B5C35D43 (1)

Weight, g/mol:

535.315855

ΔHf, kcal/mol:

-179.17

Dipole, Da:

13.1

IP(EA), eV:

 -8.3(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-methyl-3-(propanoylamino)phenyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4OC)C

DOS

IR

Vibrations