Geometry & MOs

Info

ID:	229040
PubChem CID:	87566831
Reduced:	SO2N3C5H6 (2)
Stoich.:	AB2C3D5E6 (2)
Weight, g/mol:	312.046316
ΔH_f, kcal/mol:	-91.78
Dipole, Da:	5.04
IP(EA), eV:	-9.51(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-carbamimidoyl N-[2-(carbamimidoylsulfanylcarbonylamino)phenyl]carbamothioate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N(C(=O)O)SC(=N)N)N(C(=O)O)SC(=N)N

DOS

IR

Vibrations