Geometry & MOs

Info

ID:	237004
PubChem CID:	92716741
Reduced:	ClFN2S2O3H18C19 (1)
Stoich.:	ABC2D2E3F18G19 (1)
Weight, g/mol:	439.123563
ΔH_f, kcal/mol:	-107.05
Dipole, Da:	7.0
IP(EA), eV:	-9.04(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-[(3aR,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]-4-methoxyanilino)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N(CC2=C(C=CC=C2Cl)F)C3=N[C@H]4CS(=O)(=O)C[C@H]4S3

DOS

IR

Vibrations