Geometry & MOs

Info

ID:	216606
PubChem CID:	85086490
Reduced:	SO2N3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	285.157623
ΔH_f, kcal/mol:	-69.6
Dipole, Da:	5.36
IP(EA), eV:	-8.92(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(1-hydroxy-4-methoxy-4-oxobut-2-enyl)pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCC2C(C1SC3=CC=NC=C3)C(=O)NC(=O)N2

DOS

IR

Vibrations