Geometry & MOs

Info

ID:	360011
PubChem CID:	127300157
Reduced:	ClO2N4C19H23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	399.162806
ΔH_f, kcal/mol:	-15.17
Dipole, Da:	6.44
IP(EA), eV:	-9.51(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(cyclobutylmethylsulfamoyl)ethyl]-3-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)NCCC3=NC(=NO3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations