Geometry & MOs

Info

ID:	236975
PubChem CID:	92716576
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	387.172896
ΔH_f, kcal/mol:	-55.82
Dipole, Da:	1.94
IP(EA), eV:	-9.09(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-(cyclohexen-1-yl)ethyl]-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