Geometry & MOs

Info

ID:

110866

PubChem CID:

50342367

Reduced:

N5O5C35H43 (1)

Stoich.:

A5B5C35D43 (1)

Weight, g/mol:

521.300205

ΔHf, kcal/mol:

-170.98

Dipole, Da:

5.89

IP(EA), eV:

 -8.75(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(dimethylcarbamoyl)phenyl]-1-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=CC=C4C)OC)C

DOS

IR

Vibrations