Geometry & MOs

Info

ID:	265421
PubChem CID:	103520219
Reduced:	ClOS2N3H6C7 (1)
Stoich.:	ABC2D3E6F7 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	51.44
Dipole, Da:	3.13
IP(EA), eV:	-9.01(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=COC(=N1)SCC2=C(SN=N2)Cl

DOS

IR

Vibrations