Geometry & MOs

Info

ID:

93634

PubChem CID:

49995766

Reduced:

O5N6C41H50 (1)

Stoich.:

A5B6C41D50 (1)

Weight, g/mol:

686.415569

ΔHf, kcal/mol:

-170.42

Dipole, Da:

13.9

IP(EA), eV:

 -8.91(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-methylbutanoylamino)phenyl]-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations