Geometry & MOs

Info

ID:	414921
PubChem CID:	135087893
Reduced:	O2N3C23H31 (1)
Stoich.:	A2B3C23D31 (1)
Weight, g/mol:	564.22718
ΔH_f, kcal/mol:	-70.94
Dipole, Da:	3.32
IP(EA), eV:	-9.28(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-(4-fluoro-3-methoxybenzoyl)-5,6-dimethoxy-17,20-dioxa-11,14-diazatetracyclo[19.2.2.02,11.03,8]pentacosa-1(23),3,5,7,21,24-hexaen-12-one

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)CN2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations