Geometry & MOs

Info

ID:	34908
PubChem CID:	7979076
Reduced:	ClN2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-86.74
Dipole, Da:	5.34
IP(EA), eV:	-8.74(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C/C=C/C1=CC(=C(C=C1)OCC(=O)NNC(=O)C2=CC(=CC=C2)Cl)OC

DOS

IR

Vibrations