Geometry & MOs

Info

ID:	140499
PubChem CID:	52710423
Reduced:	FSN2O3H23C24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	406.085098
ΔH_f, kcal/mol:	-72.33
Dipole, Da:	4.98
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[(2,4-dichlorophenyl)methyl]urea

Drug info:

PubChemData

Smile

C1CC1[C@H](C2=CC3=C(C=C2)OCCO3)NC(=O)N[C@@H](C4=CC=C(C=C4)F)C5=CC=CS5

DOS

IR

Vibrations