Geometry & MOs

Info

ID:	440763
PubChem CID:	135231333
Reduced:	SO2N3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	477.285223
ΔH_f, kcal/mol:	30.44
Dipole, Da:	3.63
IP(EA), eV:	-8.4(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-cyanopyrimidin-5-yl)-8-(dimethylamino)-2-hydroxy-8-phenyl-1,3-diazaspiro[4.5]decan-1-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)SC3=CC=C(C=C3)NC(=O)NCC4=CN=CO4

DOS

IR

Vibrations