Geometry & MOs

Info

ID:	155032
PubChem CID:	56314650
Reduced:	FSO2N6C22H29 (1)
Stoich.:	ABC2D6E22F29 (1)
Weight, g/mol:	429.188626
ΔH_f, kcal/mol:	-78.66
Dipole, Da:	6.67
IP(EA), eV:	-8.45(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-[4-[2-methyl-4-(thiomorpholin-4-ylmethyl)anilino]-4-oxobutyl]benzamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)F)C(C)NC(=O)CC3=CSC(=N3)N4CCNC4=O

DOS

IR

Vibrations