Geometry & MOs

Info

ID:	230728
PubChem CID:	87571760
Reduced:	SN6O10C30H44 (1)
Stoich.:	AB6C10D30E44 (1)
Weight, g/mol:	397.09021
ΔH_f, kcal/mol:	-368.07
Dipole, Da:	7.09
IP(EA), eV:	-8.64(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,5-dimethyl-1H-pyrrol-2-yl)-2,5-diphenyl-1H-tetrazol-1-ium;bromide

Drug info:

PubChemData

Smile

C1CN(CCN(CCN(CCN1CC(CCCC2=CC=C(C=C2)N=C=S)N(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations