Geometry & MOs

Info

ID:

435000

PubChem CID:

135176848

Reduced:

ClO2N6C40H43 (1)

Stoich.:

AB2C6D40E43 (1)

Weight, g/mol:

445.073928

ΔHf, kcal/mol:

21.59

Dipole, Da:

0.91

IP(EA), eV:

 -8.35(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(azetidin-3-ylsulfanyl)-2-(2,3-dihydro-1H-tetrazol-5-yl)-3-(2-oxoimidazo[4,5-c]pyridin-7-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=C(O2)C(=CC(=C3)CN4CCCCC4)Cl)C5=C(C(=CC=C5)NC6=NC=CC7=CC(=CN=C76)CNCC(C)(C)O)C

DOS

IR

Vibrations