Geometry & MOs

Info

ID:	38407
PubChem CID:	8035333
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-91.41
Dipole, Da:	5.12
IP(EA), eV:	-8.54(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3'aS,5R)-1-propan-2-yl-2-sulfanylidenespiro[1,3-diazinane-5,4'-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoline]-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=NC=C3)/O2)CN4CCN(CC4)CCO)O

DOS

IR

Vibrations