Geometry & MOs

Info

ID:

111335

PubChem CID:

50362447

Reduced:

BrO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-154.67

Dipole, Da:

4.04

IP(EA), eV:

 -8.91(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)Br)C(=O)N4CCCCC4

DOS

IR

Vibrations