Geometry & MOs

Info

ID:

106190

PubChem CID:

50151970

Reduced:

ClN5O5C30H38 (1)

Stoich.:

AB5C5D30E38 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-197.57

Dipole, Da:

2.23

IP(EA), eV:

 -8.71(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclohexylcarbamoyl)-2-methylphenyl]-1-[1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations