Geometry & MOs

Info

ID:	34971
PubChem CID:	7979149
Reduced:	NO6C18H19 (1)
Stoich.:	AB6C18D19 (1)
Weight, g/mol:	410.130028
ΔH_f, kcal/mol:	-193.79
Dipole, Da:	5.11
IP(EA), eV:	-8.16(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-anilino-1-oxopropan-2-yl] (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)COC(=O)C2=CC(=CC=C2)OC)OC

DOS

IR

Vibrations