Geometry & MOs

Info

ID:	41546
PubChem CID:	8146232
Reduced:	NOSH10C11 (2)
Stoich.:	ABCD10E11 (2)
Weight, g/mol:	351.215806
ΔH_f, kcal/mol:	-10.39
Dipole, Da:	4.17
IP(EA), eV:	-8.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations