Geometry & MOs

Info

ID:	384572
PubChem CID:	134977240
Reduced:	SC21H22 (1)
Stoich.:	AB21C22 (1)
Weight, g/mol:	411.277344
ΔH_f, kcal/mol:	63.55
Dipole, Da:	0.75
IP(EA), eV:	-8.35(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4R,6R,6aS)-4-methoxy-2-phenyl-6-tetradec-4-ynyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazole

Drug info:

PubChemData

Smile

C1CCC(=C=C(CSC2=CC=CC=C2)C3=CC=CC=C3)CC1

DOS

IR

Vibrations