Geometry & MOs

Info

ID:	163087
PubChem CID:	57637094
Reduced:	O2N3C6H9 (1)
Stoich.:	A2B3C6D9 (1)
Weight, g/mol:	403.164223
ΔH_f, kcal/mol:	-47.93
Dipole, Da:	2.93
IP(EA), eV:	-9.79(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[2,5-difluoro-4-[4-(1-phenylethyl)piperazin-1-yl]phenyl]methylideneamino]thiourea

Drug info:

PubChemData

Smile

CNC(=O)NCC1=COC=N1

DOS

IR

Vibrations