Geometry & MOs

Info

ID:	88640
PubChem CID:	49955843
Reduced:	ClSO3N6C22H22 (1)
Stoich.:	ABC3D6E22F22 (1)
Weight, g/mol:	382.107078
ΔH_f, kcal/mol:	78.42
Dipole, Da:	1.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.048386
Charge, e:	-1

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-1-[3-(1-phenyltetrazol-5-yl)oxyphenyl]methanamine;chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)OC3=CC=CC(=C3)CNCCC4=CC=C(C=C4)S(=O)(=O)N.[Cl-]

DOS

IR

Vibrations