Geometry & MOs

Info

ID:	125058
PubChem CID:	50908296
Reduced:	N2S2O4H10C11 (1)
Stoich.:	A2B2C4D10E11 (1)
Weight, g/mol:	577.249809
ΔH_f, kcal/mol:	-101.1
Dipole, Da:	11.33
IP(EA), eV:	-9.47(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R)-2-(3-methoxy-4-propan-2-yloxyphenyl)-5-oxo-3-phenylsulfanyl-1-[2-(4-propan-2-yloxyphenyl)ethyl]pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CSC(=N1)NC(=O)C2=CC=CC=C2O

DOS

IR

Vibrations