Geometry & MOs

Info

ID:	93225
PubChem CID:	49992593
Reduced:	SO3N6C26H36 (1)
Stoich.:	AB3C6D26E36 (1)
Weight, g/mol:	522.300619
ΔH_f, kcal/mol:	-88.64
Dipole, Da:	3.05
IP(EA), eV:	-8.92(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations