Geometry & MOs

Info

ID:	308527
PubChem CID:	125333396
Reduced:	SO2N4H14C18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	822.352969
ΔH_f, kcal/mol:	93.69
Dipole, Da:	3.39
IP(EA), eV:	-8.89(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-cyclohexyloxycarbonyloxyethyl] 2-methyl-3-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@@H]2C(=C(O[C@H]3C2=C(N=N3)C4=CC=CS4)N)C#N

DOS

IR

Vibrations