Geometry & MOs

Info

ID:	67531
PubChem CID:	46506663
Reduced:	ClS2N4O5H27C28 (1)
Stoich.:	AB2C4D5E27F28 (1)
Weight, g/mol:	458.052563
ΔH_f, kcal/mol:	-132.86
Dipole, Da:	3.39
IP(EA), eV:	-8.6(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylanilino)methylidene]-2,2-dioxothieno[3,2-c]thiazin-4-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC(=C(C=C4)OC)Cl)SC5=C3CCN(C5)C(=O)C

DOS

IR

Vibrations