Geometry & MOs

Info

ID:	68728
PubChem CID:	46508992
Reduced:	F2N3O3H25C26 (1)
Stoich.:	A2B3C3D25E26 (1)
Weight, g/mol:	379.135448
ΔH_f, kcal/mol:	-130.28
Dipole, Da:	3.6
IP(EA), eV:	-8.01(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-methylphenoxy)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC(=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations