Geometry & MOs

Info

ID:	163895
PubChem CID:	74380651
Reduced:	ClOSF2N4H23C26 (1)
Stoich.:	ABCD2E4F23G26 (1)
Weight, g/mol:	598.271273
ΔH_f, kcal/mol:	-36.46
Dipole, Da:	6.38
IP(EA), eV:	-9.06(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(F)F)C)C=NNC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations