Geometry & MOs

Info

ID:

93658

PubChem CID:

49995933

Reduced:

N6O7C40H54 (1)

Stoich.:

A6B7C40D54 (1)

Weight, g/mol:

742.441784

ΔHf, kcal/mol:

-284.48

Dipole, Da:

3.93

IP(EA), eV:

 -8.76(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexylcarbamoyl)-2-methoxyphenyl]-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=C(C=CC(=C5)C(=O)N6CCOCC6)OC

DOS

IR

Vibrations