Geometry & MOs

Info

ID:

104107

PubChem CID:

50091681

Reduced:

BrO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

611.347155

ΔHf, kcal/mol:

-125.64

Dipole, Da:

8.56

IP(EA), eV:

 -8.45(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[3-oxo-3-(4-propan-2-ylanilino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations