Geometry & MOs

Info

ID:	283145
PubChem CID:	103960650
Reduced:	N2O2C15H20 (1)
Stoich.:	A2B2C15D20 (1)
Weight, g/mol:	250.048607
ΔH_f, kcal/mol:	-39.24
Dipole, Da:	4.24
IP(EA), eV:	-8.93(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-(2-thiophen-2-ylsulfanylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1OC2=C(N(N=C2C)C)C)O

DOS

IR

Vibrations