Geometry & MOs

Info

ID:	34880
PubChem CID:	7979047
Reduced:	OSN3C18H21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	415.156577
ΔH_f, kcal/mol:	24.19
Dipole, Da:	8.75
IP(EA), eV:	-8.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-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

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

DOS

IR

Vibrations