Geometry & MOs

Info

ID:	174818
PubChem CID:	75819413
Reduced:	N3O4C22H27 (1)
Stoich.:	A3B4C22D27 (1)
Weight, g/mol:	417.169999
ΔH_f, kcal/mol:	-156.69
Dipole, Da:	5.99
IP(EA), eV:	-8.82(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[4-[1-(3-fluoro-4-methoxyphenyl)ethylcarbamoylamino]phenyl]acetyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(C)NC(=O)NC2=CC=C(C=C2)CC(=O)NCC(=O)OC

DOS

IR

Vibrations