Geometry & MOs

Info

ID:	52432
PubChem CID:	12015294
Reduced:	BrOS2N3H8C16 (1)
Stoich.:	ABC2D3E8F16 (1)
Weight, g/mol:	317.081695
ΔH_f, kcal/mol:	94.46
Dipole, Da:	3.43
IP(EA), eV:	-9.28(-2.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(dimethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N3C(=N2)C(=S)N(C3=S)C4=CC=C(C=C4)Br

DOS

IR

Vibrations