Geometry & MOs

Info

ID:	13546
PubChem CID:	244517
Reduced:	SCl2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	345.083324
ΔH_f, kcal/mol:	26.39
Dipole, Da:	0.96
IP(EA), eV:	-9.04(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dichlorophenyl)methylideneamino]-N'-heptylcarbamimidothioic acid

Drug info:

PubChemData

Smile

CCCCCCCN=C(NN=CC1=C(C=C(C=C1)Cl)Cl)S

DOS

IR

Vibrations