Geometry & MOs

Info

ID:	430428
PubChem CID:	135170492
Reduced:	N3O4S4C20H29 (1)
Stoich.:	A3B4C4D20E29 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-106.86
Dipole, Da:	7.74
IP(EA), eV:	-8.83(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-tert-butyl-1-methyl-5-oxo-2H-pyrrol-2-yl) cyclopropanecarboxylate

Drug info:

PubChemData

Smile

CC(=O)NC(CS)C(=O)O.C[S@@](=O)CCCCN=C=S.C1=CC=C(C=C1)CCN=C=S

DOS

IR

Vibrations