Geometry & MOs

Info

ID:	237566
PubChem CID:	92719764
Reduced:	SN2C9H15 (2)
Stoich.:	AB2C9D15 (2)
Weight, g/mol:	366.191189
ΔH_f, kcal/mol:	18.16
Dipole, Da:	4.04
IP(EA), eV:	-8.31(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohexyl-3-[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]thiourea

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@@H](CNC(=S)NC2CCCCC2)C3=CC=CS3

DOS

IR

Vibrations