Geometry & MOs

Info

ID:

44598

PubChem CID:

10504293

Reduced:

S2O3N5H17C22 (1)

Stoich.:

A2B3C5D17E22 (1)

Weight, g/mol:

463.257003

ΔHf, kcal/mol:

-8.65

Dipole, Da:

4.81

IP(EA), eV:

 -7.99(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R,4S)-2-(2,2-dimethylpentyl)-4-(7-methoxy-1,3-benzodioxol-5-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(=O)C2=C(C3=C(S2)SC(=C3N)C(=O)C4=C5C=CC=NC5=C(C=C4)O)N)C

DOS

IR

Vibrations