Geometry & MOs

Info

ID:	43875
PubChem CID:	10321915
Reduced:	SN2F3O3C22H29 (1)
Stoich.:	AB2C3D3E22F29 (1)
Weight, g/mol:	458.220557
ΔH_f, kcal/mol:	-286.77
Dipole, Da:	6.01
IP(EA), eV:	-9.16(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]urea

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)NC(CCCC(F)(F)F)C(=O)NC(C)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations