Geometry & MOs

Info

ID:	57513
PubChem CID:	22401398
Reduced:	ClSN3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	496.258674
ΔH_f, kcal/mol:	52.12
Dipole, Da:	4.17
IP(EA), eV:	-9.21(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[2-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4-ylidene]acetic acid

Drug info:

PubChemData

Smile

C1CC2CN(C1)C(C(=C2)C3=NSN=C3)Cl

DOS

IR

Vibrations