Geometry & MOs

Info

ID:	437567
PubChem CID:	135226612
Reduced:	OSN2H20C22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	344.152478
ΔH_f, kcal/mol:	44.84
Dipole, Da:	3.34
IP(EA), eV:	-8.48(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3,6-dimethyl-2-methylidene-6-(8-prop-1-ynyldibenzofuran-2-yl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC#CC1=CC2=C(C=C1)SC3=C2C=C(C=C3)[C@@]4(CC(=O)N(C(=C)N4)C)C

DOS

IR

Vibrations