Geometry & MOs

Info

ID:	61694
PubChem CID:	26711837
Reduced:	SN2O4C22H34 (1)
Stoich.:	AB2C4D22E34 (1)
Weight, g/mol:	287.188529
ΔH_f, kcal/mol:	-182.98
Dipole, Da:	4.66
IP(EA), eV:	-9.22(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3CCCCCC3)OC)C

DOS

IR

Vibrations