Geometry & MOs

Info

ID:	204071
PubChem CID:	79908767
Reduced:	ClNSO3C15H18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	273.17625
ΔH_f, kcal/mol:	-129.51
Dipole, Da:	3.25
IP(EA), eV:	-8.57(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(methylamino)-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-2-ol

Drug info:

PubChemData

Smile

C1COC2(CCSC2)CC1OC(=O)C3=CC(=C(C=C3)Cl)N

DOS

IR

Vibrations