Geometry & MOs

Info

ID:

93559

PubChem CID:

49995491

Reduced:

O5N6C37H50 (1)

Stoich.:

A5B6C37D50 (1)

Weight, g/mol:

619.336984

ΔHf, kcal/mol:

-218.85

Dipole, Da:

11.61

IP(EA), eV:

 -8.65(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-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)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC=C4C(=O)N5CCCC5)C

DOS

IR

Vibrations