Geometry & MOs

Info

ID:	77461
PubChem CID:	49635677
Reduced:	SF2N3O3C16H23 (1)
Stoich.:	AB2C3D3E16F23 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-214.88
Dipole, Da:	4.71
IP(EA), eV:	-9.19(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethoxybutyl)-3-[2-(2-methylimidazol-1-yl)ethyl]urea

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(CC1)C(=O)NC(C)CC2=C(C=CC=C2F)F

DOS

IR

Vibrations