Geometry & MOs

Info

ID:

90708

PubChem CID:

49971648

Reduced:

N5O5C37H51 (1)

Stoich.:

A5B5C37D51 (1)

Weight, g/mol:

659.40467

ΔHf, kcal/mol:

-219.01

Dipole, Da:

1.89

IP(EA), eV:

 -8.86(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-[(2-methylcyclohexyl)carbamoyl]phenyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)OC

DOS

IR

Vibrations