Geometry & MOs

Info

ID:	185226
PubChem CID:	77272175
Reduced:	ClFSO2N5H9C18 (1)
Stoich.:	ABCD2E5F9G18 (1)
Weight, g/mol:	395.175753
ΔH_f, kcal/mol:	42.5
Dipole, Da:	7.48
IP(EA), eV:	-9.32(-2.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-4-(15-fluoro-11-oxo-3,5,8,10-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-2(6),4,7,9,12,14,16-heptaen-4-yl)hexanamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1F)C3C(=CC=NC3=O)C4=C2NC(=N4)SC5C(=CN=NC5=O)Cl

DOS

IR

Vibrations