Geometry & MOs

Info

ID:	49775
PubChem CID:	11533813
Reduced:	S2N3O5C26H29 (1)
Stoich.:	A2B3C5D26E29 (1)
Weight, g/mol:	526.07712
ΔH_f, kcal/mol:	-51.36
Dipole, Da:	9.6
IP(EA), eV:	-8.42(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[2-[3-bromo-5-chloro-2-[2-(3,5-dimethoxyphenyl)ethyl]phenyl]ethyl]phenyl]-2H-tetrazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C/C(=N\[S@](=O)C(C)(C)C)/C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations