Geometry & MOs

Info

ID:

94414

PubChem CID:

50000828

Reduced:

N3O3C22H28 (2)

Stoich.:

A3B3C22D28 (2)

Weight, g/mol:

750.410483

ΔHf, kcal/mol:

-231.06

Dipole, Da:

8.48

IP(EA), eV:

 -8.73(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-methoxyphenyl)-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6=CC=C(C=C6)C

DOS

IR

Vibrations