Geometry & MOs

Info

ID:

106751

PubChem CID:

50175132

Reduced:

O5N6C41H58 (1)

Stoich.:

A5B6C41D58 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-238.17

Dipole, Da:

4.86

IP(EA), eV:

 -8.92(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5C)C)C

DOS

IR

Vibrations