Geometry & MOs

Info

ID:	35194
PubChem CID:	7979461
Reduced:	ClN3O4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-108.06
Dipole, Da:	3.11
IP(EA), eV:	-9.33(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(cyclopropylamino)-2-oxoethyl] (3S,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)CNC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations