Geometry & MOs

Info

ID:

120497

PubChem CID:

50730387

Reduced:

ClO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

639.318747

ΔHf, kcal/mol:

-183.43

Dipole, Da:

2.38

IP(EA), eV:

 -9.08(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-N-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC(C4)C)C

DOS

IR

Vibrations