Geometry & MOs

Info

ID:

91868

PubChem CID:

49979719

Reduced:

N6O7C41H50 (1)

Stoich.:

A6B7C41D50 (1)

Weight, g/mol:

674.379183

ΔHf, kcal/mol:

-248.39

Dipole, Da:

11.11

IP(EA), eV:

 -8.53(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-(2-methylpropanoylamino)phenyl]-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)NC(=O)C6=CC(=CC=C6)OC)C

DOS

IR

Vibrations