Geometry & MOs

Info

ID:	420895
PubChem CID:	135115007
Reduced:	ON3C19H31 (1)
Stoich.:	AB3C19D31 (1)
Weight, g/mol:	604.269713
ΔH_f, kcal/mol:	-50.9
Dipole, Da:	4.29
IP(EA), eV:	-8.97(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-23-methoxy-15-(2-morpholin-4-ylbenzoyl)-2-oxa-10,15,19-triazatricyclo[19.2.2.03,8]pentacosa-1(23),3(8),4,6,21,24-hexaene-11,20-dione

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)N[C@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations