Geometry & MOs

Info

ID:	66305
PubChem CID:	46504172
Reduced:	O2S2N4C23H36 (1)
Stoich.:	A2B2C4D23E36 (1)
Weight, g/mol:	421.141318
ΔH_f, kcal/mol:	-59.53
Dipole, Da:	4.43
IP(EA), eV:	-8.69(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-[3-(3-methylpiperidin-1-yl)propyl]-1-(thiophen-2-ylmethyl)thiourea

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)CNC(=S)N(CCCN2CCOCC2)CC3=CC=CS3

DOS

IR

Vibrations