Geometry & MOs

Info

ID:

94335

PubChem CID:

49999767

Reduced:

O5N6C43H62 (1)

Stoich.:

A5B6C43D62 (1)

Weight, g/mol:

742.478169

ΔHf, kcal/mol:

-250.63

Dipole, Da:

4.93

IP(EA), eV:

 -8.98(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5C)C)C

DOS

IR

Vibrations