Geometry & MOs

Info

ID:

93633

PubChem CID:

49995738

Reduced:

O5N6C43H56 (1)

Stoich.:

A5B6C43D56 (1)

Weight, g/mol:

706.384269

ΔHf, kcal/mol:

-217.19

Dipole, Da:

6.98

IP(EA), eV:

 -8.51(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations