Geometry & MOs

Info

ID:	174797
PubChem CID:	75816071
Reduced:	SO3N5C20H23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-96.62
Dipole, Da:	8.66
IP(EA), eV:	-9.36(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-2-ylmethyl)-3-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)urea

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)C4CC5C(NC4)NC(=O)NC5=O

DOS

IR

Vibrations