Geometry & MOs

Info

ID:	169754
PubChem CID:	75143863
Reduced:	SN2O7H18C21 (1)
Stoich.:	AB2C7D18E21 (1)
Weight, g/mol:	474.266462
ΔH_f, kcal/mol:	-145.21
Dipole, Da:	5.86
IP(EA), eV:	-9.2(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[cyclohexyl-(2-hydroxy-3-morpholin-4-ylpropyl)amino]methyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),4,6-trien-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C1=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations