Geometry & MOs

Info

ID:	13702
PubChem CID:	397053
Reduced:	Cl2O3S3N4H14C19 (1)
Stoich.:	A2B3C3D4E14F19 (1)
Weight, g/mol:	511.960509
ΔH_f, kcal/mol:	-35.64
Dipole, Da:	3.38
IP(EA), eV:	-8.87(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-amino-6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C(=O)N2N)SC(=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations