Geometry & MOs

Info

ID:	421009
PubChem CID:	135115199
Reduced:	N2O3S3C18H24 (1)
Stoich.:	A2B3C3D18E24 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-92.62
Dipole, Da:	6.29
IP(EA), eV:	-9.19(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene-9-carbonyl)phenyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)S(=O)(=O)C3=CC=C(S3)C4=CSC(=N4)C)O

DOS

IR

Vibrations