Geometry & MOs

Info

ID:

164195

PubChem CID:

74382252

Reduced:

ClO2N5H20C22 (1)

Stoich.:

AB2C5D20E22 (1)

Weight, g/mol:

593.2571

ΔHf, kcal/mol:

8.35

Dipole, Da:

5.21

IP(EA), eV:

 -8.68(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[3-amino-4-[[4-(2-fluoroethoxy)phenyl]sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(CC1O)C2=NC3=C(C=C2)C(=C(C=C3)Cl)NC(=O)CNC4=CC=C(C=C4)C#N

DOS

IR

Vibrations