Geometry & MOs

Info

ID:

302144

PubChem CID:

124349680

Reduced:

O3N5C23H33 (1)

Stoich.:

A3B5C23D33 (1)

Weight, g/mol:

448.187733

ΔHf, kcal/mol:

-128.73

Dipole, Da:

6.18

IP(EA), eV:

 -8.86(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-6-chloro-1'-[(2R)-1-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-1-oxopropan-2-yl]spiro[1,3-dihydroquinazoline-2,5'-azepane]-2',4-dione

Drug info:

PubChemData

Smile

CCN1CCC[C@@H]1CNC(=O)[C@@H](C)N2CC[C@]3(CCC2=O)NC4=CC=CC=C4C(=O)N3

DOS

IR

Vibrations