Geometry & MOs

Info

ID:	195209
PubChem CID:	78655509
Reduced:	NO5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	408.034684
ΔH_f, kcal/mol:	-183.81
Dipole, Da:	3.88
IP(EA), eV:	-9.12(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC=CC=C2C(=O)C

DOS

IR

Vibrations