Geometry & MOs

Info

ID:	242938
PubChem CID:	99214386
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	479.09906
ΔH_f, kcal/mol:	-100.18
Dipole, Da:	5.8
IP(EA), eV:	-8.95(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3-[3-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-3-oxopropyl]urea

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)CN2CCN(CC2)C(=O)COC3=CC4=C(C=C3)OC(=O)C=C4C

DOS

IR

Vibrations