Geometry & MOs

Info

ID:	312629
PubChem CID:	126606995
Reduced:	ClF2O2N6H29C33 (1)
Stoich.:	AB2C2D6E29F33 (1)
Weight, g/mol:	242.125809
ΔH_f, kcal/mol:	-56.17
Dipole, Da:	8.78
IP(EA), eV:	-8.74(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-heptyl-6-thiophosphorosocyclohexene

Drug info:

PubChemData

Smile

CC1CCC[C@@H](C2=NC=CC(=C2)C3=C(C=C(C=C3)NC4=NN=CC=C4)NC1=O)N5CCC(=CC5=O)C6=C(C=CC(=C6F)Cl)F

DOS

IR

Vibrations