Geometry & MOs

Info

ID:

110281

PubChem CID:

50318735

Reduced:

BrO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

535.315855

ΔHf, kcal/mol:

-179.47

Dipole, Da:

2.86

IP(EA), eV:

 -8.82(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C)C)Br

DOS

IR

Vibrations