Geometry & MOs

Info

ID:	449583
PubChem CID:	135299841
Reduced:	ON4H30C37 (1)
Stoich.:	AB4C30D37 (1)
Weight, g/mol:	398.110553
ΔH_f, kcal/mol:	196.67
Dipole, Da:	2.55
IP(EA), eV:	-8.13(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2,4-di(propan-2-yl)-[1,4]benzothiaphosphinino[2,3-b]furan 4,9-dioxide

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)OC3=CC4C(C=C3)C5=CC=CC=C5N4C6=CC=CC=N6)N(C7=CC=CC=C71)C8=CC=CC=N8)C

DOS

IR

Vibrations