Geometry & MOs

Info

ID:

181134

PubChem CID:

76715646

Reduced:

SN3O5C25H29 (1)

Stoich.:

AB3C5D25E29 (1)

Weight, g/mol:

669.341401

ΔHf, kcal/mol:

-112.96

Dipole, Da:

6.51

IP(EA), eV:

 -8.88(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-(1-benzylbenzimidazol-2-yl)oxy-14-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C2(CC2C=C)CC(=O)C3CC(CN3)OC4=NC=CC5=CC=CC=C54

DOS

IR

Vibrations