Geometry & MOs

Info

ID:	40414
PubChem CID:	8144082
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	366.140199
ΔH_f, kcal/mol:	-81.4
Dipole, Da:	2.76
IP(EA), eV:	-8.18(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC[C@@]1(C(=O)N(C(=O)N1)CN2CCN(CC2)C3=CC=CC=C3)C

DOS

IR

Vibrations