Geometry & MOs

Info

ID:	143413
PubChem CID:	53205221
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	491.121645
ΔH_f, kcal/mol:	-47.0
Dipole, Da:	2.24
IP(EA), eV:	-9.59(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-2-[(7-oxo-2-piperidin-1-yl-6-propan-2-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=NOC(=N3)C(=O)NCCC4=CC=CC=C4

DOS

IR

Vibrations