Geometry & MOs

Info

ID:	46966
PubChem CID:	10528680
Reduced:	N3O6H17C19 (1)
Stoich.:	A3B6C17D19 (1)
Weight, g/mol:	398.214033
ΔH_f, kcal/mol:	-167.2
Dipole, Da:	12.18
IP(EA), eV:	-9.35(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(4-butylphenyl)diazenyl]phenoxy]pentyl carbamimidothioate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C(=O)OCC(=O)O)OC(=O)C2=CC=C(C=C2)N=C(N)N

DOS

IR

Vibrations