Geometry & MOs

Info

ID:

91380

PubChem CID:

49975578

Reduced:

FN6O7C37H43 (1)

Stoich.:

AB6C7D37E43 (1)

Weight, g/mol:

702.317726

ΔHf, kcal/mol:

-285.2

Dipole, Da:

10.16

IP(EA), eV:

 -8.32(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-fluorobenzoyl)amino]-3-methoxyanilino]-1-oxopropan-2-yl]-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)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)F)OC

DOS

IR

Vibrations