Geometry & MOs

Info

ID:

109029

PubChem CID:

50269357

Reduced:

Cl2O3N4C30H32 (1)

Stoich.:

A2B3C4D30E32 (1)

Weight, g/mol:

604.2049

ΔHf, kcal/mol:

-92.14

Dipole, Da:

5.01

IP(EA), eV:

 -8.59(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations