Geometry & MOs

Info

ID:

94330

PubChem CID:

49999756

Reduced:

FO5N6C44H55 (1)

Stoich.:

AB5C6D44E55 (1)

Weight, g/mol:

686.415569

ΔHf, kcal/mol:

-257.89

Dipole, Da:

7.87

IP(EA), eV:

 -8.6(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(dimethylcarbamoyl)-2-methylphenyl]-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=C(C=CC(=C5)C(=O)NC6=CC(=C(C=C6)C)F)C

DOS

IR

Vibrations