Geometry & MOs

Info

ID:	38188
PubChem CID:	8027927
Reduced:	ClO2N5H14C18 (1)
Stoich.:	AB2C5D14E18 (1)
Weight, g/mol:	402.035557
ΔH_f, kcal/mol:	39.95
Dipole, Da:	6.77
IP(EA), eV:	-9.35(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[(3aS,6aS)-3-(4-fluorophenyl)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-ylidene]amino]-2-oxoethoxy]acetic acid

Drug info:

PubChemData

Smile

C1[C@H](N2C(=NC1=O)N=C(N2)C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations