Geometry & MOs

Info

ID:	417452
PubChem CID:	135094681
Reduced:	S2N3O4C16H21 (1)
Stoich.:	A2B3C4D16E21 (1)
Weight, g/mol:	367.200825
ΔH_f, kcal/mol:	-128.72
Dipole, Da:	1.42
IP(EA), eV:	-9.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(dimethylamino)spiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl]-2-(1-methylpyrrol-2-yl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CC1=NC2=C(S1)C=CC(=C2)C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C

DOS

IR

Vibrations