Geometry & MOs

Info

ID:	229608
PubChem CID:	87568150
Reduced:	ClFSN3O3C23H29 (1)
Stoich.:	ABCD3E3F23G29 (1)
Weight, g/mol:	279.068875
ΔH_f, kcal/mol:	-118.64
Dipole, Da:	5.01
IP(EA), eV:	-8.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C/C4=CNN(C4)CCC(=O)O)/C3)S.Cl

DOS

IR

Vibrations