Geometry & MOs

Info

ID:

223854

PubChem CID:

85335662

Reduced:

O3Cl4N4H22C28 (1)

Stoich.:

A3B4C4D22E28 (1)

Weight, g/mol:

605.277087

ΔHf, kcal/mol:

-46.17

Dipole, Da:

6.9

IP(EA), eV:

 -8.76(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-5-yl N-[4-[[4-(ethylamino)-3-methoxyphenyl]sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(C1)C2=CC(=C3C=CC(=CC3=O)NC(=O)C4=C(C=CC=C4Cl)Cl)NN2C(=O)NCC5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations