Geometry & MOs

Info

ID:

302145

PubChem CID:

124349681

Reduced:

ClN4O4C22H29 (1)

Stoich.:

AB4C4D22E29 (1)

Weight, g/mol:

440.242356

ΔHf, kcal/mol:

-177.38

Dipole, Da:

10.14

IP(EA), eV:

 -8.88(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-1'-[(2R)-1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1-oxopropan-2-yl]spiro[3H-1,3-benzoxazine-2,5'-azepane]-2',4-dione

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC[C@H](C1)CO)N2CC[C@]3(CCC2=O)NC4=C(C=C(C=C4)Cl)C(=O)N3

DOS

IR

Vibrations