Geometry & MOs

Info

ID:

94476

PubChem CID:

50001794

Reduced:

BrO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

668.345296

ΔHf, kcal/mol:

-179.39

Dipole, Da:

2.08

IP(EA), eV:

 -8.94(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[5-chloro-2-(diethylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)Br

DOS

IR

Vibrations