Geometry & MOs

Info

ID:	34809
PubChem CID:	7978958
Reduced:	ClSO2N3C21H26 (1)
Stoich.:	ABC2D3E21F26 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-34.46
Dipole, Da:	5.5
IP(EA), eV:	-8.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-3-methylbutan-2-yl]amino]-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=C1Cl)C(C)C)OCC(=O)NN(C)C(=S)NCC2=CC=CC=C2

DOS

IR

Vibrations