Geometry & MOs

Info

ID:	181007
PubChem CID:	76715518
Reduced:	FS2N4O6C39H45 (1)
Stoich.:	AB2C4D6E39F45 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-192.44
Dipole, Da:	4.15
IP(EA), eV:	-8.81(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)NC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC(=CS5)C6=CC=CC=C6)C(=O)NS(=O)(=O)C7(CC7)C

DOS

IR

Vibrations