Geometry & MOs

Info

ID:	31892
PubChem CID:	3722869
Reduced:	SN4O5H20C25 (1)
Stoich.:	AB4C5D20E25 (1)
Weight, g/mol:	399.127072
ΔH_f, kcal/mol:	-71.45
Dipole, Da:	7.67
IP(EA), eV:	-9.04(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-[(4-fluorophenyl)methoxy]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Drug info:

PubChemData

Smile

COC(=O)CC1=CC=C(C=C1)OC2=NC=NC=C2NC(=O)C3=CSC(=N3)C4=CC5=C(C=C4)OCC5

DOS

IR

Vibrations