Geometry & MOs

Info

ID:

91625

PubChem CID:

49977679

Reduced:

FN6O7C37H43 (1)

Stoich.:

AB6C7D37E43 (1)

Weight, g/mol:

636.327148

ΔHf, kcal/mol:

-280.95

Dipole, Da:

10.91

IP(EA), eV:

 -8.54(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-methoxy-3-(propanoylamino)anilino]-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=CC(=C(C=C4)OC)NC(=O)C5=CC(=CC=C5)F

DOS

IR

Vibrations