Geometry & MOs

Info

ID:

107865

PubChem CID:

50221849

Reduced:

O5N6C40H56 (1)

Stoich.:

A5B6C40D56 (1)

Weight, g/mol:

714.446869

ΔHf, kcal/mol:

-228.6

Dipole, Da:

8.97

IP(EA), eV:

 -8.93(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C)C

DOS

IR

Vibrations