Geometry & MOs

Info

ID:	34989
PubChem CID:	7979169
Reduced:	NO2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	423.150429
ΔH_f, kcal/mol:	-58.8
Dipole, Da:	1.61
IP(EA), eV:	-9.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3

DOS

IR

Vibrations