Geometry & MOs

Info

ID:	34914
PubChem CID:	7979082
Reduced:	ClSN2O2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-30.98
Dipole, Da:	2.39
IP(EA), eV:	-9.15(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[di(propan-2-yl)amino]-2-oxoethyl] (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C(=O)NNC(=O)CCCC2=CC=CS2

DOS

IR

Vibrations