Geometry & MOs

Info

ID:

440247

PubChem CID:

135230178

Reduced:

SN5H15C18 (1)

Stoich.:

AB5C15D18 (1)

Weight, g/mol:

775.196837

ΔHf, kcal/mol:

132.87

Dipole, Da:

2.3

IP(EA), eV:

 -8.71(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[1-(1-methyltetrazol-5-yl)-6-[2-[[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]carbamoyloxy]ethyl]benzimidazol-2-yl]sulfanylmethyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=CN=C1N2C3=CC=CC=C3N=C2SCC4=CC=CC=N4

DOS

IR

Vibrations