Geometry & MOs

Info

ID:

107186

PubChem CID:

50194186

Reduced:

O5N6C41H58 (1)

Stoich.:

A5B6C41D58 (1)

Weight, g/mol:

752.406147

ΔHf, kcal/mol:

-243.38

Dipole, Da:

5.44

IP(EA), eV:

 -8.83(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylphenyl]-1-[1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4C(=O)N5CCCCC5)C)C

DOS

IR

Vibrations