Geometry & MOs

Info

ID:	276025
PubChem CID:	103820020
Reduced:	SO2N3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	286.098728
ΔH_f, kcal/mol:	-67.32
Dipole, Da:	3.55
IP(EA), eV:	-8.34(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methoxy-2-nitroanilino)-2-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C(CO)SC)NC1=NC=CNC1=O

DOS

IR

Vibrations