Geometry & MOs

Info

ID:

440463

PubChem CID:

135230440

Reduced:

FO5N8C31H33 (1)

Stoich.:

AB5C8D31E33 (1)

Weight, g/mol:

472.119671

ΔHf, kcal/mol:

-83.03

Dipole, Da:

9.56

IP(EA), eV:

 -8.66(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[6-[[4-chloro-1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C2=CC3=C(N=C2)OCCN3C(=O)C)C4=CC=CC=C4)NC(=O)N[C@@H]5CN(O[C@H]5C6=CC(=NC=C6)F)CCOC

DOS

IR

Vibrations