Geometry & MOs

Info

ID:	80873
PubChem CID:	49846703
Reduced:	SN3O3C18H21 (2)
Stoich.:	AB3C3D18E21 (2)
Weight, g/mol:	504.240641
ΔH_f, kcal/mol:	-152.88
Dipole, Da:	10.07
IP(EA), eV:	-8.82(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[8-[ethyl(phenylmethoxy)amino]octyl]-3-pyridin-4-ylthiourea;oxalic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1S(=O)(=O)N(C)C(C)C2=NC3=C(C=CC=C3N2)C(=O)N4CCC5(CC4)CCN(CC5)S(=O)(=O)C6=CC=CC=C6C#N)C)OC

DOS

IR

Vibrations