Geometry & MOs

Info

ID:	160527
PubChem CID:	57309875
Reduced:	OSN2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	477.168205
ΔH_f, kcal/mol:	-28.16
Dipole, Da:	3.7
IP(EA), eV:	-8.49(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-amino-3-(benzenesulfonamido)propanoyl] 3-ethoxy-2-[methyl-(N'-methylcarbamimidoyl)amino]benzoate

Drug info:

PubChemData

Smile

C1CSCCN1C(C2=CC=C(C=C2)N)O

DOS

IR

Vibrations