Geometry & MOs

Info

ID:	35012
PubChem CID:	7979193
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	334.098728
ΔH_f, kcal/mol:	-109.1
Dipole, Da:	2.3
IP(EA), eV:	-8.17(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-amino-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

CC1=CC=C(C=C1)C(=O)NNC(=O)CCCOC2=CC=C(C=C2)OC

DOS

IR

Vibrations