Geometry & MOs

Info

ID:	435036
PubChem CID:	135178291
Reduced:	N5O5H21C26 (1)
Stoich.:	A5B5C21D26 (1)
Weight, g/mol:	200.13472
ΔH_f, kcal/mol:	-12.02
Dipole, Da:	10.94
IP(EA), eV:	-9.12(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,8-diazaspiro[4.5]decan-8-yl)ethanethiol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)N/N=C\2/C3=CC=CC=C3C=C(C2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations