Geometry & MOs

Info

ID:	34928
PubChem CID:	7979097
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	363.088892
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	1.8
IP(EA), eV:	-8.91(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=NNC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations