Geometry & MOs

Info

ID:	314992
PubChem CID:	126624128
Reduced:	SN2O3C18H26 (1)
Stoich.:	AB2C3D18E26 (1)
Weight, g/mol:	257.126323
ΔH_f, kcal/mol:	-117.97
Dipole, Da:	3.37
IP(EA), eV:	-8.67(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 2-O-methyl (2S)-4-(hydroxymethyl)-2,3-dihydropyrrole-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NCCC2)N(C)C3CCC4(CC3)OCCO4

DOS

IR

Vibrations