Geometry & MOs

Info

ID:	343532
PubChem CID:	127266705
Reduced:	SO2N4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	308.094312
ΔH_f, kcal/mol:	-45.13
Dipole, Da:	4.85
IP(EA), eV:	-9.26(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-nitropyridin-2-yl)amino]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)COC)NC(CO)C2=CSC(=N2)C(C)C

DOS

IR

Vibrations