Geometry & MOs

Info

ID:	35042
PubChem CID:	7979226
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-81.92
Dipole, Da:	5.73
IP(EA), eV:	-9.04(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (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=C1)C(=O)NNC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

DOS

IR

Vibrations