Geometry & MOs

Info

ID:

95719

PubChem CID:

50012930

Reduced:

N6O6C39H50 (1)

Stoich.:

A6B6C39D50 (1)

Weight, g/mol:

716.369761

ΔHf, kcal/mol:

-218.15

Dipole, Da:

11.3

IP(EA), eV:

 -8.68(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(3-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)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations