Geometry & MOs

Info

ID:

94256

PubChem CID:

49999296

Reduced:

O5N6C44H58 (1)

Stoich.:

A5B6C44D58 (1)

Weight, g/mol:

736.431219

ΔHf, kcal/mol:

-220.74

Dipole, Da:

8.82

IP(EA), eV:

 -8.19(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-benzamido-3-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

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC(=C5)C)C

DOS

IR

Vibrations