Geometry & MOs

Info

ID:	33316
PubChem CID:	7885945
Reduced:	O2S2N3H19C21 (1)
Stoich.:	A2B2C3D19E21 (1)
Weight, g/mol:	347.130363
ΔH_f, kcal/mol:	22.79
Dipole, Da:	2.62
IP(EA), eV:	-8.64(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCC3=NC=C(O3)C4=CC=CC=C4)CC=C)C

DOS

IR

Vibrations