Geometry & MOs

Info

ID:	392970
PubChem CID:	135018732
Reduced:	OSC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	460.17045
ΔH_f, kcal/mol:	-1.1
Dipole, Da:	1.56
IP(EA), eV:	-9.06(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4S)-4-(1H-indol-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane

Drug info:

PubChemData

Smile

CCC1(CC(C1)(C2=CC=CS2)O)C3=CC=CC=C3

DOS

IR

Vibrations