Geometry & MOs

Info

ID:

94085

PubChem CID:

49998469

Reduced:

N5O5C35H49 (1)

Stoich.:

A5B5C35D49 (1)

Weight, g/mol:

603.378455

ΔHf, kcal/mol:

-227.49

Dipole, Da:

6.24

IP(EA), eV:

 -8.59(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-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)NC(C)C(=O)NC4=C(C=CC(=C4)C)OC

DOS

IR

Vibrations