Geometry & MOs

Info

ID:	215033
PubChem CID:	85084031
Reduced:	N3O8C37H59 (1)
Stoich.:	A3B8C37D59 (1)
Weight, g/mol:	515.24673
ΔH_f, kcal/mol:	-297.17
Dipole, Da:	3.58
IP(EA), eV:	-9.37(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[5-butyl-4-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]methanol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCC1C(=O)C2=C(C(C3(N2CC4C3N4C(=O)C)OC)COC(=O)N)C(=O)C15OCCO5

DOS

IR

Vibrations