Geometry & MOs

Info

ID:	167696
PubChem CID:	74859492
Reduced:	FNSO5H16C20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	429.244999
ΔH_f, kcal/mol:	-178.08
Dipole, Da:	7.03
IP(EA), eV:	-8.91(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[cyclohexyl(2-hydroxyhex-5-enyl)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=C(C=CC(=C2)O)O)C1=O)NC3=CC(=CC=C3)F

DOS

IR

Vibrations