Geometry & MOs

Info

ID:	43620
PubChem CID:	10321553
Reduced:	ClSN4O4C20H23 (1)
Stoich.:	ABC4D4E20F23 (1)
Weight, g/mol:	450.188562
ΔH_f, kcal/mol:	-79.08
Dipole, Da:	9.02
IP(EA), eV:	-9.55(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-(2,4-difluorophenyl)-1-heptylurea

Drug info:

PubChemData

Smile

CO/N=C\1/CCCC1CC(C2=CC(=C(C=C2)S(=O)(=O)C)Cl)C(=O)NC3=NC=CN=C3

DOS

IR

Vibrations