Geometry & MOs

Info

ID:	415106
PubChem CID:	135088092
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	386.114772
ΔH_f, kcal/mol:	-59.75
Dipole, Da:	5.83
IP(EA), eV:	-8.22(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]carbamoyl]-5-hydroxybenzoate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C3CCCC3=C2)NCCN(C)S(=O)(=O)C

DOS

IR

Vibrations