Geometry & MOs

Info

ID:	341036
PubChem CID:	127263471
Reduced:	O2N4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	402.88516
ΔH_f, kcal/mol:	-31.21
Dipole, Da:	4.96
IP(EA), eV:	-8.59(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromothieno[2,3-d]pyrimidin-4-yl)-4-chlorobenzenesulfonamide

Drug info:

PubChemData

Smile

CN1C2=C(C=CC1=O)C=C(C=C2)NC(=O)NN

DOS

IR

Vibrations