Geometry & MOs

Info

ID:	329297
PubChem CID:	126734322
Reduced:	SN4O8C31H42 (1)
Stoich.:	AB4C8D31E42 (1)
Weight, g/mol:	157.073893
ΔH_f, kcal/mol:	-268.83
Dipole, Da:	3.81
IP(EA), eV:	-8.87(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dihydroxy-3-propan-2-yl-1,2-dihydropyrrol-5-one

Drug info:

PubChemData

Smile

CC(C)CCN(C[C@H]([C@H](CC1CC=CC=C1)NC(=O)OC2C3CC4C2COC4OC3)O)NS(=O)(=O)C5=CC6=C(C=C5)N=CO6

DOS

IR

Vibrations