Geometry & MOs

Info

ID:	236978
PubChem CID:	92716590
Reduced:	SO2N5C17H23 (1)
Stoich.:	AB2C5D17E23 (1)
Weight, g/mol:	349.120861
ΔH_f, kcal/mol:	-41.46
Dipole, Da:	8.2
IP(EA), eV:	-8.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)[C@H]2CCCN2C3=NN4C(=O)C=C(N=C4S3)C

DOS

IR

Vibrations