Geometry & MOs

Info

ID:	351136
PubChem CID:	127279694
Reduced:	O3N4C19H20 (1)
Stoich.:	A3B4C19D20 (1)
Weight, g/mol:	381.160994
ΔH_f, kcal/mol:	-71.11
Dipole, Da:	7.98
IP(EA), eV:	-8.37(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylsulfonyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=O)C3=NC=CC(=C3)N4CCCC4

DOS

IR

Vibrations