Geometry & MOs

Info

ID:	25293
PubChem CID:	622281
Reduced:	NO3H25C26 (1)
Stoich.:	AB3C25D26 (1)
Weight, g/mol:	299.120467
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	4.79
IP(EA), eV:	-8.84(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(2-amino-4-methylphenyl)-N-(1-pyridin-2-ylethylideneamino)carbamimidothioic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(C2)(CC(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)OC

DOS

IR

Vibrations