Geometry & MOs

Info

ID:	315487
PubChem CID:	126627062
Reduced:	SO2C72H80 (1)
Stoich.:	AB2C72D80 (1)
Weight, g/mol:	175.120843
ΔH_f, kcal/mol:	-22.4
Dipole, Da:	3.42
IP(EA), eV:	-8.14(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,3S,4R)-4-amino-3-ethoxy-2-methoxycyclopentan-1-ol

Drug info:

Smile

CCCCCCCCOC1=C(C=C2C(=C1)C3=CC(=C(C=C3S2)C4=CC(=CC(=C4)C5=CC=C(C=C5)C(C)(C)C)C6=CC=C(C=C6)C(C)(C)C)O)C7=CC(=CC(=C7)C8=CC=C(C=C8)C(C)(C)C)C9=CC=C(C=C9)C(C)(C)C

DOS

IR

Vibrations