Geometry & MOs

Info

ID:

186838

PubChem CID:

77491617

Reduced:

N4O7C33H44 (1)

Stoich.:

A4B7C33D44 (1)

Weight, g/mol:

868.397553

ΔHf, kcal/mol:

-263.14

Dipole, Da:

7.37

IP(EA), eV:

 -9.26(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-(dimethylsulfamoylcarbamoyl)-18-[6-methyl-1-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)benzimidazol-2-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(NC(=C)C3CC(CN3C1=O)OC(=O)N4CC5=CC=CC=C5C4)C(=O)O

DOS

IR

Vibrations