Geometry & MOs

Info

ID:	138824
PubChem CID:	52431466
Reduced:	OSN6C19H25 (1)
Stoich.:	ABC6D19E25 (1)
Weight, g/mol:	390.137971
ΔH_f, kcal/mol:	75.63
Dipole, Da:	7.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754708
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-fluorophenyl)-2-methoxy-N-[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)CNC(=O)C[NH+]4CCCCC4

DOS

IR

Vibrations