Geometry & MOs

Info

ID:

119461

PubChem CID:

50686062

Reduced:

Cl2N5O5C30H37 (1)

Stoich.:

A2B5C5D30E37 (1)

Weight, g/mol:

635.323833

ΔHf, kcal/mol:

-196.14

Dipole, Da:

7.46

IP(EA), eV:

 -8.64(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[4-(cyclohexanecarbonylamino)-3-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCCC2)Cl)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations