Geometry & MOs

Info

ID:	421113
PubChem CID:	135115396
Reduced:	NO3C20H31 (1)
Stoich.:	AB3C20D31 (1)
Weight, g/mol:	376.085971
ΔH_f, kcal/mol:	-136.15
Dipole, Da:	2.25
IP(EA), eV:	-8.21(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)OCCN2CCC[C@@]3(C2)CCC[C@H]3O

DOS

IR

Vibrations