Geometry & MOs

Info

ID:	440125
PubChem CID:	135230025
Reduced:	PN2O2C20H27 (1)
Stoich.:	AB2C2D20E27 (1)
Weight, g/mol:	293.039165
ΔH_f, kcal/mol:	-110.21
Dipole, Da:	5.29
IP(EA), eV:	-7.68(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-2-methylpyrrolidine-1-carbothioyl)sulfanylbutanedioic acid

Drug info:

PubChemData

Smile

CCCN1C(CCC2=C1C=CC(=C2)NP(=O)(C)CC3=CC=CC=C3)O

DOS

IR

Vibrations