Geometry & MOs

Info

ID:	190595
PubChem CID:	78026194
Reduced:	OSN2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	401.150823
ΔH_f, kcal/mol:	-17.64
Dipole, Da:	5.04
IP(EA), eV:	-9.01(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(2-hydroxyethyl)-5,5-dimethyloxolan-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]acetate

Drug info:

PubChemData

Smile

C1CC2=C(C1SC3CCN(C3)C4CCOC4)C=CN=C2

DOS

IR

Vibrations