Geometry & MOs

Info

ID:

96781

PubChem CID:

50024485

Reduced:

N3O3C20H26 (2)

Stoich.:

A3B3C20D26 (2)

Weight, g/mol:

730.385412

ΔHf, kcal/mol:

-216.88

Dipole, Da:

4.1

IP(EA), eV:

 -8.82(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(4-fluorobenzoyl)amino]-4-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations