Geometry & MOs

Info

ID:	422796
PubChem CID:	135118422
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	343.171834
ΔH_f, kcal/mol:	-78.41
Dipole, Da:	4.03
IP(EA), eV:	-9.26(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=CC2(CCN(CC2)C(=O)NCCC3=CC=CC=C3)OCC1

DOS

IR

Vibrations