Geometry & MOs

Info

ID:

447779

PubChem CID:

135285682

Reduced:

O5N6C38H50 (1)

Stoich.:

A5B6C38D50 (1)

Weight, g/mol:

533.199585

ΔHf, kcal/mol:

-204.85

Dipole, Da:

6.62

IP(EA), eV:

 -9.07(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 6-fluoro-3-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylsulfamoyl]phenyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O

DOS

IR

Vibrations