Geometry & MOs

Info

ID:	45614
PubChem CID:	10515599
Reduced:	FSN2O4C9H11 (1)
Stoich.:	ABC2D4E9F11 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-214.41
Dipole, Da:	3.73
IP(EA), eV:	-9.92(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1R,7S)-1,10,10-trimethyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-dien-4-yl]acetate

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H](S[C@H]1N2C=C(C(=O)NC2=O)F)CO)O

DOS

IR

Vibrations