Geometry & MOs

Info

ID:

94309

PubChem CID:

49999547

Reduced:

O5N6C41H60 (1)

Stoich.:

A5B6C41D60 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-258.78

Dipole, Da:

2.01

IP(EA), eV:

 -9.04(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations