Geometry & MOs

Info

ID:	13701
PubChem CID:	397051
Reduced:	ClO3S3N4H11C13 (1)
Stoich.:	AB3C3D4E11F13 (1)
Weight, g/mol:	401.968181
ΔH_f, kcal/mol:	-40.72
Dipole, Da:	3.68
IP(EA), eV:	-9.0(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-amino-4-oxothieno[3,4-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=CSC=C3C(=O)N2N

DOS

IR

Vibrations