Geometry & MOs

Info

ID:

441646

PubChem CID:

135238424

Reduced:

PN5O7C31H38 (1)

Stoich.:

AB5C7D31E38 (1)

Weight, g/mol:

429.156971

ΔHf, kcal/mol:

-255.08

Dipole, Da:

9.23

IP(EA), eV:

 -8.7(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dioxopyrrolidin-1-yl) (3R)-3-[cyclopropylmethylsulfonyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

Drug info:

PubChemData

Smile

CCOP(=O)(O)OC(C)N1C=C(C2=C1N=CC(=C2)C3=CC(=CC(=C3)OC)N(C)C(=O)C=CCN(C)C)C4=CC(=NC=C4)OC

DOS

IR

Vibrations