Geometry & MOs

Info

ID:	35006
PubChem CID:	7979187
Reduced:	IN2O2H13C15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	409.134779
ΔH_f, kcal/mol:	0.2
Dipole, Da:	2.7
IP(EA), eV:	-9.13(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,4-dimethylphenyl)-2-oxoethyl] (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(C=C2)I

DOS

IR

Vibrations