Geometry & MOs

Info

ID:

91865

PubChem CID:

49979709

Reduced:

ClN6O6C37H47 (1)

Stoich.:

AB6C6D37E47 (1)

Weight, g/mol:

742.324561

ΔHf, kcal/mol:

-237.67

Dipole, Da:

7.9

IP(EA), eV:

 -9.04(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-chlorobenzoyl)amino]-3-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=C(C=CC(=C5)C(=O)N6CCCC6)Cl

DOS

IR

Vibrations