Geometry & MOs

Info

ID:	192551
PubChem CID:	78285133
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	305.116427
ΔH_f, kcal/mol:	12.39
Dipole, Da:	2.51
IP(EA), eV:	-8.61(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5-dimethyl-4-[[2-(3-methylphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]pyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CC=C3

DOS

IR

Vibrations