Geometry & MOs

Info

ID:

93451

PubChem CID:

49994954

Reduced:

SO4N5C33H45 (1)

Stoich.:

AB4C5D33E45 (1)

Weight, g/mol:

603.378455

ΔHf, kcal/mol:

-175.66

Dipole, Da:

5.53

IP(EA), eV:

 -8.34(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-methylbutanoylamino)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)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations