Geometry & MOs

Info

ID:	427530
PubChem CID:	135159624
Reduced:	ClFSO2N4C20H20 (1)
Stoich.:	ABCD2E4F20G20 (1)
Weight, g/mol:	366.082033
ΔH_f, kcal/mol:	-54.41
Dipole, Da:	2.57
IP(EA), eV:	-9.01(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6S)-6-(1-oxo-1,2-thiazolidin-2-yl)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(CCN2C(=NC1C3=C(C=C(C=C3)F)Cl)C4=NC=CS4)NC

DOS

IR

Vibrations