Geometry & MOs

Info

ID:	180919
PubChem CID:	76704454
Reduced:	S2N6O8C41H56 (1)
Stoich.:	A2B6C8D41E56 (1)
Weight, g/mol:	292.183858
ΔH_f, kcal/mol:	-292.29
Dipole, Da:	4.99
IP(EA), eV:	-8.5(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(4-fluoro-3-methylphenyl)methyl]non-8-enoate

Drug info:

PubChemData

Smile

CC1=CN=C(S1)C2=C3C(=CC=C2)N(C(=N3)OC4CC5C(=O)CC6(CC6C=CCCCCCC(C(=O)N5C4)CC(=O)OC(C)(C)C)C(=O)NS(=O)(=O)N(C)C)C(C)C

DOS

IR

Vibrations