Geometry & MOs

Info

ID:

107255

PubChem CID:

50196313

Reduced:

BrO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-157.55

Dipole, Da:

6.53

IP(EA), eV:

 -8.86(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-oxo-3-[3-(propanoylamino)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations