Geometry & MOs

Info

ID:

95363

PubChem CID:

50008781

Reduced:

O5N6C32H42 (1)

Stoich.:

A5B6C32D42 (1)

Weight, g/mol:

632.275861

ΔHf, kcal/mol:

-196.17

Dipole, Da:

8.98

IP(EA), eV:

 -8.93(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-fluorobenzoyl)amino]-3-methoxyanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)NC(=O)C4CCCCC4

DOS

IR

Vibrations