Geometry & MOs

Info

ID:	150767
PubChem CID:	53790463
Reduced:	S3N5O11C16H19 (1)
Stoich.:	A3B5C11D16E19 (1)
Weight, g/mol:	275.165207
ΔH_f, kcal/mol:	-374.47
Dipole, Da:	14.89
IP(EA), eV:	-9.31(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butan-2-yl-2-(2-butoxypropan-2-yl)-4-chloro-5H-1,2-oxazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)CCOS(=O)(=O)O)N=NC2=C(C=C(C(=C2)S(=O)(=O)O)N)NC(=O)N

DOS

IR

Vibrations