Geometry & MOs

Info

ID:

93454

PubChem CID:

49994966

Reduced:

FN5O5C38H46 (1)

Stoich.:

AB5C5D38E46 (1)

Weight, g/mol:

619.37337

ΔHf, kcal/mol:

-221.48

Dipole, Da:

2.86

IP(EA), eV:

 -8.49(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]-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)NC4=CC(=C(C=C4)NC(=O)C5=CC(=CC=C5)F)OC

DOS

IR

Vibrations