Geometry & MOs

Info

ID:	434981
PubChem CID:	135176141
Reduced:	ClSF2N2O4C26H31 (1)
Stoich.:	ABC2D2E4F26G31 (1)
Weight, g/mol:	428.90878
ΔH_f, kcal/mol:	-249.66
Dipole, Da:	1.99
IP(EA), eV:	-9.41(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-(3-bromo-2-chlorophenyl)-7-chloro-1,3-benzoxazol-5-yl]-methoxymethylidene]-methylphosphane

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N[C@H](C(=O)N3CCCC3)C(C4=CC=C(C=C4)Cl)(F)F

DOS

IR

Vibrations