Geometry & MOs

Info

ID:

94751

PubChem CID:

50003616

Reduced:

N3O3C20H29 (2)

Stoich.:

A3B3C20D29 (2)

Weight, g/mol:

678.410483

ΔHf, kcal/mol:

-282.56

Dipole, Da:

6.84

IP(EA), eV:

 -8.84(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[5-(diethylcarbamoyl)-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)OC

DOS

IR

Vibrations