Geometry & MOs

Info

ID:	229689
PubChem CID:	87568467
Reduced:	ClFSO3N4C24H30 (1)
Stoich.:	ABCD3E4F24G30 (1)
Weight, g/mol:	310.051795
ΔH_f, kcal/mol:	-103.75
Dipole, Da:	5.76
IP(EA), eV:	-8.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbamimidoylsulfanyl-[1-[carbamimidoylsulfanyl(carboxy)amino]propan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCN1N=CC(=N1)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations