Geometry & MOs

Info

ID:

181088

PubChem CID:

76715600

Reduced:

BrSN2O5C33H35 (1)

Stoich.:

ABC2D5E33F35 (1)

Weight, g/mol:

742.372384

ΔHf, kcal/mol:

-122.0

Dipole, Da:

5.88

IP(EA), eV:

 -9.46(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-(dimethylsulfamoylcarbamoyl)-18-[1-(2-methylpropyl)benzimidazol-2-yl]oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CC4=CC=CC=C4)OC5=NC6=C(S5)C=C(C=C6)Br)C(=O)O

DOS

IR

Vibrations