Geometry & MOs

Info

ID:	34912
PubChem CID:	7979080
Reduced:	ClO3N4C20H21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-70.06
Dipole, Da:	3.15
IP(EA), eV:	-8.69(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[di(propan-2-yl)amino]-2-oxoethyl] (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NNC(=O)C2=CC(=CC=C2)Cl)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations