Geometry & MOs

Info

ID:	430517
PubChem CID:	135170583
Reduced:	S2N4O5C54H54 (1)
Stoich.:	A2B4C5D54E54 (1)
Weight, g/mol:	231.056529
ΔH_f, kcal/mol:	-5.96
Dipole, Da:	7.26
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylsulfanyl-1-methyl-5-oxo-2H-pyrrol-2-yl) methyl carbonate

Drug info:

PubChemData

Smile

CC#C[C@@H](CC(=O)OC(=O)CC(C#CC)C1=CC=C(C=C1)OCC2=CC=CC(=C2)CN3CCC4=C(C3)N=C(S4)C)C5=CC=C(C=C5)OCC6=CC=CC(=C6)CN7CCC8=C(C7)N=C(S8)C

DOS

IR

Vibrations