Geometry & MOs

Info

ID:	34884
PubChem CID:	7979051
Reduced:	OSN3C18H25 (1)
Stoich.:	ABC3D18E25 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-0.41
Dipole, Da:	7.25
IP(EA), eV:	-8.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylpropylamino)-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

CN(C(=S)NCC1=CC=CC=C1)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3

DOS

IR

Vibrations