Geometry & MOs

Info

ID:	384046
PubChem CID:	134976234
Reduced:	IPSC22H32 (1)
Stoich.:	ABCD22E32 (1)
Weight, g/mol:	439.148485
ΔH_f, kcal/mol:	-21.95
Dipole, Da:	6.43
IP(EA), eV:	-8.13(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1,3-benzodioxol-5-ylmethyl)-1-(2-trimethylsilylethylsulfonyl)-2,5-dihydropyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCCSCCP(C)(CCC1=CC=CC=C1)(CCC2=CC=CC=C2)I

DOS

IR

Vibrations