Geometry & MOs

Info

ID:	349417
PubChem CID:	127275204
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	395.166748
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	7.75
IP(EA), eV:	-9.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[(5,5-dimethyl-2-phenylmorpholin-4-yl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC1(COC(CN1CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)C5=CC=CC=C5)C

DOS

IR

Vibrations