Geometry & MOs

Info

ID:	216877
PubChem CID:	85086918
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	311.155515
ΔH_f, kcal/mol:	25.34
Dipole, Da:	3.6
IP(EA), eV:	-9.12(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(10,10-dimethyl-3-sulfanylidene-4-oxa-2-azatricyclo[5.2.1.01,5]decan-2-yl)-3-hydroxy-4-methylpentan-1-one

Drug info:

PubChemData

Smile

CC1CC2CCN1CC2NC(=O)N3C=C(C=N3)C4=CN=CC=C4

DOS

IR

Vibrations