Geometry & MOs

Info

ID:	66312
PubChem CID:	46504203
Reduced:	ClOS2N3C20H26 (1)
Stoich.:	ABC2D3E20F26 (1)
Weight, g/mol:	402.208947
ΔH_f, kcal/mol:	79.32
Dipole, Da:	6.58
IP(EA), eV:	-8.32(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[3-(4-methylpiperazin-1-yl)propyl]thiourea

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NC(=S)N(CCCN2CCCC2)CC3=CC=CS3

DOS

IR

Vibrations