Geometry & MOs

Info

ID:

107602

PubChem CID:

50210692

Reduced:

BrO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

535.315855

ΔHf, kcal/mol:

-172.82

Dipole, Da:

9.48

IP(EA), eV:

 -8.85(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC)C)C)Br

DOS

IR

Vibrations