Geometry & MOs

Info

ID:	138417
PubChem CID:	52364473
Reduced:	OSN5C16H25 (1)
Stoich.:	ABC5D16E25 (1)
Weight, g/mol:	308.152478
ΔH_f, kcal/mol:	-4.3
Dipole, Da:	7.82
IP(EA), eV:	-9.19(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(2,6-dimethylphenyl)urea

Drug info:

PubChemData

Smile

CCCCC1=C(N2C(=NC(=N2)SCC(=O)NCCC)N=C1C)C

DOS

IR

Vibrations