Geometry & MOs

Info

ID:	156783
PubChem CID:	56385605
Reduced:	SO4N6C23H28 (1)
Stoich.:	AB4C6D23E28 (1)
Weight, g/mol:	435.103497
ΔH_f, kcal/mol:	-45.02
Dipole, Da:	6.29
IP(EA), eV:	-7.85(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(2,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-N,N-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=CC=C(C=C2)NC(=O)CSC3=NN=NN3C4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations