Geometry & MOs

Info

ID:	189705
PubChem CID:	77892682
Reduced:	ClFSN5O5C19H23 (1)
Stoich.:	ABCD5E5F19G23 (1)
Weight, g/mol:	485.05863
ΔH_f, kcal/mol:	-209.72
Dipole, Da:	3.73
IP(EA), eV:	-9.06(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(4-bromophenyl)-2-oxoethyl]carbamoyl]-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-11-yl]carbamic acid

Drug info:

PubChemData

Smile

CN1CC2CC1CN2C(=O)C(C(=O)N)NS(=O)(=O)C3=CC(=CC(=C3Cl)N4CCCC4=O)F

DOS

IR

Vibrations