Geometry & MOs

Info

ID:	218978
PubChem CID:	85090286
Reduced:	PSeN3C22H30 (1)
Stoich.:	ABC3D22E30 (1)
Weight, g/mol:	386.191566
ΔH_f, kcal/mol:	26.75
Dipole, Da:	4.94
IP(EA), eV:	-8.22(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-[2,6-di(propan-2-yloxy)phenyl]sulfanyl-2-phenyloxane

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)N(P(=[Se])(N(C3=CC=CC(=C32)C)C)N4CCCCCC4)C

DOS

IR

Vibrations