Geometry & MOs

Info

ID:	276026
PubChem CID:	103820027
Reduced:	SN2O4C12H18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	268.070405
ΔH_f, kcal/mol:	-91.16
Dipole, Da:	8.76
IP(EA), eV:	-9.07(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-3-(thieno[3,2-c]pyridin-4-ylamino)butan-1-ol

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC1=C(C=CC(=C1)OC)[N+](=O)[O-]

DOS

IR

Vibrations