Geometry & MOs

Info

ID:	172425
PubChem CID:	75508410
Reduced:	NSO4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	298.10842
ΔH_f, kcal/mol:	-106.76
Dipole, Da:	7.03
IP(EA), eV:	-8.87(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)CCCN2C=CC3=C(C2=O)C=CO3

DOS

IR

Vibrations