Geometry & MOs

Info

ID:	34893
PubChem CID:	7979061
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-24.66
Dipole, Da:	3.31
IP(EA), eV:	-8.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)NN(C)C(=S)NCC2=CC=CC=C2)C(C)C

DOS

IR

Vibrations