Geometry & MOs

Info

ID:	229039
PubChem CID:	87566827
Reduced:	ClFSN3O3C24H29 (1)
Stoich.:	ABCD3E3F24G29 (1)
Weight, g/mol:	344.036145
ΔH_f, kcal/mol:	-125.48
Dipole, Da:	6.7
IP(EA), eV:	-8.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbamimidoylsulfanyl-[4-[carbamimidoylsulfanyl(carboxy)amino]phenyl]carbamic acid

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C/C4=CN(N=C4)CCCC(=O)O)/C3)S.Cl

DOS

IR

Vibrations