Geometry & MOs

Info

ID:	314263
PubChem CID:	126621079
Reduced:	ClSO2N4H11C14 (1)
Stoich.:	ABC2D4E11F14 (1)
Weight, g/mol:	403.086974
ΔH_f, kcal/mol:	12.95
Dipole, Da:	2.72
IP(EA), eV:	-9.11(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chloro-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)-N,N-dimethylprop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=NC3=C2SC4=C3C=C(C=N4)C=O)Cl

DOS

IR

Vibrations