Geometry & MOs

Info

ID:

179868

PubChem CID:

76547621

Reduced:

ClS2O3N6H25C27 (1)

Stoich.:

AB2C3D6E25F27 (1)

Weight, g/mol:

453.214282

ΔHf, kcal/mol:

28.65

Dipole, Da:

2.27

IP(EA), eV:

 -8.67(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-6-methyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NC5CCCN(C5)S(=O)(=O)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations