Geometry & MOs

Info

ID:	85715
PubChem CID:	49878448
Reduced:	S2N3O3C20H29 (1)
Stoich.:	A2B3C3D20E29 (1)
Weight, g/mol:	354.132805
ΔH_f, kcal/mol:	-119.44
Dipole, Da:	6.68
IP(EA), eV:	-9.08(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)C(C(C)C)NS(=O)(=O)C2=CC3=C(C=C2)N=C(S3)C)C

DOS

IR

Vibrations