Geometry & MOs

Info

ID:	16614
PubChem CID:	473772
Reduced:	SN4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	348.140868
ΔH_f, kcal/mol:	103.5
Dipole, Da:	4.94
IP(EA), eV:	-8.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylamino)phenyl]-N'-(4-pyridin-2-ylphenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C3=CC=CC=N3)S

DOS

IR

Vibrations