Geometry & MOs

Info

ID:	25587
PubChem CID:	626980
Reduced:	ClNO4H12C18 (1)
Stoich.:	ABC4D12E18 (1)
Weight, g/mol:	299.109233
ΔH_f, kcal/mol:	-89.09
Dipole, Da:	3.32
IP(EA), eV:	-8.69(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-methoxyphenyl)-N-[(4-methylphenyl)methylideneamino]carbamimidothioic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations