Geometry & MOs

Info

ID:	93062
PubChem CID:	49991264
Reduced:	SO3N6C27H38 (1)
Stoich.:	AB3C6D27E38 (1)
Weight, g/mol:	582.22055
ΔH_f, kcal/mol:	-104.0
Dipole, Da:	4.88
IP(EA), eV:	-9.2(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations