Geometry & MOs

Info

ID:

91349

PubChem CID:

49975229

Reduced:

N6O7C37H44 (1)

Stoich.:

A6B7C37D44 (1)

Weight, g/mol:

688.302076

ΔHf, kcal/mol:

-235.91

Dipole, Da:

6.78

IP(EA), eV:

 -8.35(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-fluorobenzoyl)amino]-4-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(=C(C=C4)OC)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations