Geometry & MOs

Info

ID:

110619

PubChem CID:

50332715

Reduced:

O4N5C34H47 (1)

Stoich.:

A4B5C34D47 (1)

Weight, g/mol:

712.431219

ΔHf, kcal/mol:

-181.95

Dipole, Da:

4.98

IP(EA), eV:

 -8.68(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexanecarbonylamino)phenyl]-1-[1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(C)C)C(=O)N4CCCCC4

DOS

IR

Vibrations