Geometry & MOs

Info

ID:	417246
PubChem CID:	135091789
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	595.215235
ΔH_f, kcal/mol:	-36.24
Dipole, Da:	7.06
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-23-methoxy-15-[5-(oxolan-2-yl)thiophene-2-carbonyl]-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=CC2=C(C=C1C)N=C(N2)CCC(=O)NCC3=CN=CN3CCOC

DOS

IR

Vibrations