Geometry & MOs

Info

ID:	85462
PubChem CID:	49875427
Reduced:	S2O4N7H25C33 (1)
Stoich.:	A2B4C7D25E33 (1)
Weight, g/mol:	408.140868
ΔH_f, kcal/mol:	86.41
Dipole, Da:	5.01
IP(EA), eV:	-9.23(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(thiophen-2-ylmethyl)-2-trityltetrazole

Drug info:

PubChemData

Smile

CN1/C(=C(\NC2=CC=CC=N2)/O)/C(=O)C3=C(S1(=O)=O)C=C(S3)C4=NN(N=N4)C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations