Geometry & MOs

Info

ID:

176235

PubChem CID:

76014818

Reduced:

SN3O3H13C14 (1)

Stoich.:

AB3C3D13E14 (1)

Weight, g/mol:

926.355414

ΔHf, kcal/mol:

-63.54

Dipole, Da:

3.82

IP(EA), eV:

 -9.59(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[[2-(benzenesulfonamido)-2-cyclohexylacetyl]amino]-3,3-dimethylbutanoyl]-5-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 5,7-dihydro-[1,3]dioxolo[4,5-f]isoindole-6-carboxylate

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=O)C3C(=NC2=O)C4=C(S3)N=CC=C4

DOS

IR

Vibrations