Geometry & MOs

Info

ID:

91674

PubChem CID:

49978215

Reduced:

N6O7C37H44 (1)

Stoich.:

A6B7C37D44 (1)

Weight, g/mol:

702.317726

ΔHf, kcal/mol:

-233.0

Dipole, Da:

13.97

IP(EA), eV:

 -8.65(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methoxyanilino]-2-oxoethyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)OC

DOS

IR

Vibrations