Geometry & MOs

Info

ID:	237565
PubChem CID:	92719763
Reduced:	N4O4C23H28 (1)
Stoich.:	A4B4C23D28 (1)
Weight, g/mol:	366.191189
ΔH_f, kcal/mol:	-105.21
Dipole, Da:	2.92
IP(EA), eV:	-8.69(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NC=CN=C2OC3=CC=CC=C3)C(=O)N4CCC5(CC4)OCCO5

DOS

IR

Vibrations