Geometry & MOs

Info

ID:	7316
PubChem CID:	72129
Reduced:	OSN3C22H23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	377.156184
ΔH_f, kcal/mol:	47.19
Dipole, Da:	3.4
IP(EA), eV:	-8.67(-0.56)
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

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)C3=CC=CC=N3)S

DOS

IR

Vibrations