Geometry & MOs

Info

ID:	34933
PubChem CID:	7979102
Reduced:	ClN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	363.088892
ΔH_f, kcal/mol:	-98.75
Dipole, Da:	1.84
IP(EA), eV:	-9.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(carbamoylamino)-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

CCOC(=O)NNC(=O)C1=CC(=CC=C1)Cl

DOS

IR

Vibrations