Geometry & MOs

Info

ID:	229958
PubChem CID:	87569645
Reduced:	ClFSO2N4C24H32 (1)
Stoich.:	ABCD2E4F24G32 (1)
Weight, g/mol:	337.90478
ΔH_f, kcal/mol:	-104.53
Dipole, Da:	3.11
IP(EA), eV:	-8.81(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(trifluoromethoxysulfonyl)ethane-1,2-disulfonic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)NCC[C@@H](C)N2CCC(CC2)NC(C3=CSC=C3)C(=O)CF)C)Cl

DOS

IR

Vibrations