Geometry & MOs

Info

ID:

119512

PubChem CID:

50688337

Reduced:

ClN6O7C37H43 (1)

Stoich.:

AB6C7D37E43 (1)

Weight, g/mol:

718.288175

ΔHf, kcal/mol:

-243.72

Dipole, Da:

8.92

IP(EA), eV:

 -8.83(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[3-[(2-methoxybenzoyl)amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations