Geometry & MOs

Info

ID:	43330
PubChem CID:	10321139
Reduced:	FSN2O3C24H27 (1)
Stoich.:	ABC2D3E24F27 (1)
Weight, g/mol:	442.172642
ΔH_f, kcal/mol:	-83.72
Dipole, Da:	3.22
IP(EA), eV:	-8.59(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propylsulfanyl]-3-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)SC

DOS

IR

Vibrations