Geometry & MOs

Info

ID:	181274
PubChem CID:	76727135
Reduced:	IO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	315.150429
ΔH_f, kcal/mol:	-138.53
Dipole, Da:	1.9
IP(EA), eV:	-9.81(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[2-(3-hydroxypent-1-enyl)-5-oxopyrrolidin-1-yl]ethylsulfanyl]butanoic acid

Drug info:

PubChemData

Smile

CC1C2C(C(O1)CI)OC(O2)(C)C

DOS

IR

Vibrations