Geometry & MOs

Info

ID:	227308
PubChem CID:	87561183
Reduced:	F2S2N8O10C43H46 (1)
Stoich.:	A2B2C8D10E43F46 (1)
Weight, g/mol:	265.965461
ΔH_f, kcal/mol:	-330.04
Dipole, Da:	5.56
IP(EA), eV:	-9.84(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)N2C(=CC(=N2)CC(C(C)(C)C)NC(=O)O)S(=O)(=O)C3=CN=CC=C3.CC1=C(C=C(C=C1)F)N2C(=CC(=N2)CNC)S(=O)(=O)C3=CN=CC=C3.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations