Geometry & MOs

Info

ID:

94332

PubChem CID:

49999759

Reduced:

O5N6C40H56 (1)

Stoich.:

A5B6C40D56 (1)

Weight, g/mol:

702.446869

ΔHf, kcal/mol:

-233.01

Dipole, Da:

10.3

IP(EA), eV:

 -8.94(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-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=C(C=C5)C(=O)NC(C)C)C

DOS

IR

Vibrations