Geometry & MOs

Info

ID:	359302
PubChem CID:	127298234
Reduced:	SN2O5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	349.134779
ΔH_f, kcal/mol:	-204.5
Dipole, Da:	8.49
IP(EA), eV:	-9.59(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]cyclohex-3-ene-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(CC1=O)C(=O)NC2=CC=C(C=C2)S(=O)(=O)CC3CCCO3

DOS

IR

Vibrations