Geometry & MOs

Info

ID:	34811
PubChem CID:	7978960
Reduced:	OS2N4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	82.16
Dipole, Da:	8.49
IP(EA), eV:	-8.54(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-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

CN(C(=S)NCC1=CC=CC=C1)NC(=O)/C=C/C2=NC3=CC=CC=C3S2

DOS

IR

Vibrations