Geometry & MOs

Info

ID:	44153
PubChem CID:	10501213
Reduced:	NF2S2O5H13C16 (1)
Stoich.:	AB2C2D5E13F16 (1)
Weight, g/mol:	401.147452
ΔH_f, kcal/mol:	-256.72
Dipole, Da:	5.95
IP(EA), eV:	-9.61(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3,4-trimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C2C(=C1)CCC2=O)S(=O)(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations