Geometry & MOs

Info

ID:	59702
PubChem CID:	24894291
Reduced:	FNO2S2H18C21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	411.150429
ΔH_f, kcal/mol:	-25.06
Dipole, Da:	3.77
IP(EA), eV:	-8.09(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-5-phenyl-1-(3-propan-2-ylsulfonylphenyl)pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2C=C(NC3=C(S2)C=C(C=C3)F)C4=CC=CS4)OC

DOS

IR

Vibrations