Geometry & MOs

Info

ID:	25711
PubChem CID:	629522
Reduced:	N3H23C25 (1)
Stoich.:	A3B23C25 (1)
Weight, g/mol:	356.966102
ΔH_f, kcal/mol:	117.9
Dipole, Da:	7.59
IP(EA), eV:	-8.58(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methylideneamino]-N'-(2,3-dichlorophenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CN1C(=C(C2(CCCCC2)C(=C1C3=CC=CC=C3)C#N)C#N)C4=CC=CC=C4

DOS

IR

Vibrations