Geometry & MOs

Info

ID:	80874
PubChem CID:	49846704
Reduced:	SN4O5C25H36 (1)
Stoich.:	AB4C5D25E36 (1)
Weight, g/mol:	414.245333
ΔH_f, kcal/mol:	-136.47
Dipole, Da:	4.39
IP(EA), eV:	-8.84(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCCCCCCCNC(=S)NC1=CC=NC=C1)OCC2=CC=CC=C2.C(=O)(C(=O)O)O

DOS

IR

Vibrations