Geometry & MOs

Info

ID:	331093
PubChem CID:	127248500
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-108.28
Dipole, Da:	7.64
IP(EA), eV:	-8.23(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(2-azaspiro[4.5]decane-2-carbonyl)thieno[2,3-b]pyridin-3-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC=C1NC(=O)C2=C(C3=C(S2)N=CC=C3)C4CN(CCO4)C(=O)C

DOS

IR

Vibrations