Geometry & MOs

Info

ID:	16691
PubChem CID:	474764
Reduced:	SO2N6C28H30 (1)
Stoich.:	AB2C6D28E30 (1)
Weight, g/mol:	514.215095
ΔH_f, kcal/mol:	58.6
Dipole, Da:	5.12
IP(EA), eV:	-8.37(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-methylpropoxy)phenyl]-N'-(4-pyridin-2-ylphenyl)carbamimidothioic acid;pyridine-4-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C3=CC=CC=N3)S.C1=CN=CC=C1C(=O)NN

DOS

IR

Vibrations