Geometry & MOs

Info

ID:	342520
PubChem CID:	127265675
Reduced:	ON4C19H30 (1)
Stoich.:	AB4C19D30 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-49.14
Dipole, Da:	3.21
IP(EA), eV:	-8.74(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)C(=O)NC2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations