Geometry & MOs

Info

ID:	202532
PubChem CID:	79682763
Reduced:	SN2O3C10H18 (1)
Stoich.:	AB2C3D10E18 (1)
Weight, g/mol:	305.039165
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	3.93
IP(EA), eV:	-9.27(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(2,3-dihydroxypropylsulfanyl)acetyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC(=NO1)CSCC(CO)O

DOS

IR

Vibrations