Geometry & MOs

Info

ID:

181073

PubChem CID:

76715585

Reduced:

SCl2N2O5C33H34 (1)

Stoich.:

AB2C2D5E33F34 (1)

Weight, g/mol:

714.345107

ΔHf, kcal/mol:

-140.52

Dipole, Da:

7.68

IP(EA), eV:

 -9.37(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-18-(1-propan-2-ylbenzimidazol-2-yl)oxy-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CC4=CC(=C(C=C4)Cl)Cl)OC5=NC6=CC=CC=C6S5)C(=O)O

DOS

IR

Vibrations