Geometry & MOs

Info

ID:

180918

PubChem CID:

76704182

Reduced:

PSF2N4O7C45H55 (1)

Stoich.:

ABC2D4E7F45G55 (1)

Weight, g/mol:

824.360105

ΔHf, kcal/mol:

-353.67

Dipole, Da:

6.45

IP(EA), eV:

 -8.44(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[4-(dimethylsulfamoylcarbamoyl)-18-[4-(5-methyl-1,3-thiazol-2-yl)-1-propan-2-ylbenzimidazol-2-yl]oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate

Drug info:

PubChemData

Smile

CCCC(=O)CC(C(=O)N1CC(CC1C(=O)CC2(CC2C=C)P(=O)(CC3=C(C=CC=C3F)F)O)OC4=CC(=NC5=C4C=CC(=C5)OC)C6=CSC(=N6)NC(C)C)C(C)(C)C

DOS

IR

Vibrations