Geometry & MOs

Info

ID:	71133
PubChem CID:	48414338
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	415.190734
ΔH_f, kcal/mol:	-150.09
Dipole, Da:	4.46
IP(EA), eV:	-8.86(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[2-[[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(CN2CCOCC2)NC(=O)CCN3CCSC3=O

DOS

IR

Vibrations