Geometry & MOs

Info

ID:	327694
PubChem CID:	126690759
Reduced:	ClFO2N4C8H10 (1)
Stoich.:	ABC2D4E8F10 (1)
Weight, g/mol:	193.092521
ΔH_f, kcal/mol:	-25.35
Dipole, Da:	5.08
IP(EA), eV:	-9.1(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[(1Z)-2-methylbuta-1,3-dienyl]-4-methylsulfanyl-1H-pyrrole

Drug info:

PubChemData

Smile

CC(C)(C(=O)N=O)NC1=C(CN=C(N1)Cl)F

DOS

IR

Vibrations