Geometry & MOs

Info

ID:	22344
PubChem CID:	596830
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	239.098
ΔH_f, kcal/mol:	-64.05
Dipole, Da:	3.24
IP(EA), eV:	-9.2(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3,4-dimethyl-5-sulfanylpyrrol-2-ylidene)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NC1=CC(=O)OC(C)(C)C)S)C

DOS

IR

Vibrations