Geometry & MOs

Info

ID:	50539
PubChem CID:	12013085
Reduced:	BNC3H7 (3)
Stoich.:	ABC3D7 (3)
Weight, g/mol:	274.079253
ΔH_f, kcal/mol:	-58.71
Dipole, Da:	0.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.496072
Charge, e:	0

Chem-info

IUPAC name:

1-(diethoxyphosphorylsulfanylmethyl)-4-methylbenzene

Drug info:

PubChemData

Smile

[B]1N([B]N([B]N1C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations