Geometry & MOs

Info

ID:	58166
PubChem CID:	24424496
Reduced:	S2O3N4C20H32 (1)
Stoich.:	A2B3C4D20E32 (1)
Weight, g/mol:	349.218784
ΔH_f, kcal/mol:	-106.14
Dipole, Da:	2.24
IP(EA), eV:	-8.77(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-methoxyphenyl)ethyl]-3-(2-methyl-2-piperidin-1-ylpropyl)thiourea

Drug info:

PubChemData

Smile

CC(C)(CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCOCC2)N3CCCCC3

DOS

IR

Vibrations