Geometry & MOs

Info

ID:

94579

PubChem CID:

50002405

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-232.38

Dipole, Da:

7.51

IP(EA), eV:

 -8.66(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-[(2-fluorobenzoyl)amino]-3-methoxyanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations