Geometry & MOs

Info

ID:	27011
PubChem CID:	811293
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	12.64
Dipole, Da:	2.28
IP(EA), eV:	-8.96(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylpropanoyl)-N-phenyl-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=CC=C3

DOS

IR

Vibrations