Geometry & MOs

Info

ID:	32052
PubChem CID:	4254372
Reduced:	SO2N5H13C15 (1)
Stoich.:	AB2C5D13E15 (1)
Weight, g/mol:	397.073242
ΔH_f, kcal/mol:	39.15
Dipole, Da:	5.11
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-[2-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]ethenyl]-4-nitro-1,2-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN=C(O2)SCC(=O)NC3=NC=CC=N3

DOS

IR

Vibrations