Geometry & MOs

Info

ID:	40411
PubChem CID:	8144074
Reduced:	ON2C12H18 (2)
Stoich.:	AB2C12D18 (2)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-89.05
Dipole, Da:	3.55
IP(EA), eV:	-8.18(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7aS)-N-benzyl-7a-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations