Geometry & MOs

Info

ID:	236980
PubChem CID:	92716593
Reduced:	ClN2O3H17C23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	347.141596
ΔH_f, kcal/mol:	-45.06
Dipole, Da:	5.0
IP(EA), eV:	-9.44(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations