Geometry & MOs

Info

ID:	135467
PubChem CID:	51876477
Reduced:	S2N4O5H18C19 (1)
Stoich.:	A2B4C5D18E19 (1)
Weight, g/mol:	446.071862
ΔH_f, kcal/mol:	-46.15
Dipole, Da:	9.74
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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-])OC)SC2=NC3=C(C=CS3)C(=O)N2CC=C

DOS

IR

Vibrations