Geometry & MOs

Info

ID:	236974
PubChem CID:	92716575
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	1.83
IP(EA), eV:	-9.12(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S,2R,3S)-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

C[C@@H]1CCC[C@@H]([C@@H]1C)NC(=O)[C@@H]2CCCN2C3=NN4C(=O)C=C(N=C4S3)C

DOS

IR

Vibrations