Geometry & MOs

Info

ID:	440683
PubChem CID:	135230946
Reduced:	NC10H21 (1)
Stoich.:	AB10C21 (1)
Weight, g/mol:	469.175931
ΔH_f, kcal/mol:	-23.83
Dipole, Da:	1.95
IP(EA), eV:	-9.33(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[(3S)-3-ethyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C(=C)C(C)CCCN

DOS

IR

Vibrations