Geometry & MOs

Info

ID:

302147

PubChem CID:

124349685

Reduced:

O3N4C23H32 (1)

Stoich.:

A3B4C23D32 (1)

Weight, g/mol:

425.24269

ΔHf, kcal/mol:

-50.33

Dipole, Da:

5.2

IP(EA), eV:

 -8.89(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1'-[(2R)-1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-1-oxopropan-2-yl]spiro[1,3-dihydroquinazoline-2,5'-azepane]-2',4-dione

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC4=CC=CC=C4C(=O)N3)C

DOS

IR

Vibrations