Geometry & MOs

Info

ID:	422341
PubChem CID:	135117667
Reduced:	SN2O5C16H18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	-173.9
Dipole, Da:	11.57
IP(EA), eV:	-9.7(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,2,4-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)S(=O)(=O)N3CC[C@@H]([C@H](C3)C(=O)O)O)N=CC=C2

DOS

IR

Vibrations