Geometry & MOs

Info

ID:	437568
PubChem CID:	135226613
Reduced:	NOH10C11 (2)
Stoich.:	ABC10D11 (2)
Weight, g/mol:	394.090662
ΔH_f, kcal/mol:	15.82
Dipole, Da:	2.71
IP(EA), eV:	-8.79(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC#CC1=CC2=C(C=C1)OC3=C2C=C(C=C3)[C@@]4(CC(=O)N(C(=C)N4)C)C

DOS

IR

Vibrations