Geometry & MOs

Info

ID:

91336

PubChem CID:

49975196

Reduced:

N6O6C35H46 (1)

Stoich.:

A6B6C35D46 (1)

Weight, g/mol:

688.302076

ΔHf, kcal/mol:

-229.97

Dipole, Da:

5.62

IP(EA), eV:

 -9.37(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)NC5CCCCC5

DOS

IR

Vibrations