Geometry & MOs

Info

ID:	135466
PubChem CID:	51875819
Reduced:	ClSO4N6H17C18 (1)
Stoich.:	ABC4D6E17F18 (1)
Weight, g/mol:	446.071862
ΔH_f, kcal/mol:	23.6
Dipole, Da:	5.51
IP(EA), eV:	-9.05(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-methoxy-5-nitrophenyl)-2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

DOS

IR

Vibrations