Geometry & MOs

Info

ID:	82268
PubChem CID:	49855828
Reduced:	FISN3O5C20H25 (1)
Stoich.:	ABCD3E5F20G25 (1)
Weight, g/mol:	341.106336
ΔH_f, kcal/mol:	-184.86
Dipole, Da:	5.66
IP(EA), eV:	-8.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[6-ethyl-2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-3-oxopropanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)NS(=O)(=O)C3(CC3)CC(CO)CO

DOS

IR

Vibrations