Geometry & MOs

Info

ID:	214412
PubChem CID:	84981998
Reduced:	ClOSN5C19H20 (1)
Stoich.:	ABCD5E19F20 (1)
Weight, g/mol:	379.029663
ΔH_f, kcal/mol:	56.8
Dipole, Da:	2.33
IP(EA), eV:	-8.66(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-4aH-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(methanesulfonamido)benzoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)C(C)SC2=NN=NN2C3=CC=C(C=C3)Cl

DOS

IR

Vibrations