Geometry & MOs

Info

ID:	416817
PubChem CID:	135090476
Reduced:	SN2O5C18H26 (1)
Stoich.:	AB2C5D18E26 (1)
Weight, g/mol:	390.169191
ΔH_f, kcal/mol:	-173.68
Dipole, Da:	4.75
IP(EA), eV:	-9.0(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-1,3-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC(=C(C=C2)OC)CC=C

DOS

IR

Vibrations