Geometry & MOs

Info

ID:	125495
PubChem CID:	50926528
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	496.189275
ΔH_f, kcal/mol:	-104.02
Dipole, Da:	6.39
IP(EA), eV:	-8.75(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)CN1C2=C(C(=O)N(C1=O)C3=CC=CC(=C3C)C)SC=C2

DOS

IR

Vibrations