Geometry & MOs

Info

ID:	181076
PubChem CID:	76715588
Reduced:	S3N5O7C48H61 (1)
Stoich.:	A3B5C7D48E61 (1)
Weight, g/mol:	293.179107
ΔH_f, kcal/mol:	-191.69
Dipole, Da:	4.11
IP(EA), eV:	-8.57(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(3-fluoro-5-methylanilino)non-8-enoate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=NC(=CS6)C(C)(C)C)C(=O)NS(=O)(=O)C7(CC7)C)C8=NC(=CS8)C(C)C)OC

DOS

IR

Vibrations