Geometry & MOs

Info

ID:	395867
PubChem CID:	135026771
Reduced:	SN2O2C23H26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	271.103085
ΔH_f, kcal/mol:	-40.69
Dipole, Da:	1.51
IP(EA), eV:	-8.82(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,9aS)-4a-(5-methylthiophen-2-yl)-3,4,9,9a-tetrahydro-2H-pyrano[2,3-b]indole

Drug info:

PubChemData

Smile

C[C@@H](C1=NC(=CS1)C2=CC=CC=C2)[C@@H](C3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations