Geometry & MOs

Info

ID:	268008
PubChem CID:	103595314
Reduced:	NOSC15H21 (1)
Stoich.:	ABCD15E21 (1)
Weight, g/mol:	257.068592
ΔH_f, kcal/mol:	-26.26
Dipole, Da:	4.59
IP(EA), eV:	-8.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-difluorophenyl)-(4-methylthiomorpholin-3-yl)methanone

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C(=O)C2CSCCN2C

DOS

IR

Vibrations