Geometry & MOs

Info

ID:	195894
PubChem CID:	78745789
Reduced:	ClSN3O5H14C17 (1)
Stoich.:	ABC3D5E14F17 (1)
Weight, g/mol:	382.0965
ΔH_f, kcal/mol:	-68.2
Dipole, Da:	4.74
IP(EA), eV:	-9.26(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 3-(3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)C(=O)OC

DOS

IR

Vibrations