Geometry & MOs

Info

ID:	236973
PubChem CID:	92716570
Reduced:	SO2N5C14H19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-36.96
Dipole, Da:	7.09
IP(EA), eV:	-8.69(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)[C@H]1CCCN1C2=NN3C(=O)C=C(N=C3S2)C

DOS

IR

Vibrations