Geometry & MOs

Info

ID:	66310
PubChem CID:	46504200
Reduced:	OSN4C23H34 (1)
Stoich.:	ABC4D23E34 (1)
Weight, g/mol:	451.151883
ΔH_f, kcal/mol:	10.55
Dipole, Da:	4.96
IP(EA), eV:	-8.34(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methoxyphenyl)-1-[3-(4-methylpiperidin-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=S)N(CCCN2CCN(CC2)CC)CC3=CC=CO3

DOS

IR

Vibrations