Geometry & MOs

Info

ID:

91811

PubChem CID:

49979305

Reduced:

ClN6O7C37H47 (1)

Stoich.:

AB6C7D37E47 (1)

Weight, g/mol:

742.324561

ΔHf, kcal/mol:

-276.73

Dipole, Da:

7.4

IP(EA), eV:

 -9.25(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(2-chlorobenzoyl)amino]-4-methylphenyl]-1-[1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)N6CCOCC6)Cl

DOS

IR

Vibrations