Geometry & MOs

Info

ID:	443308
PubChem CID:	135258521
Reduced:	N2Cl3O5H21C29 (1)
Stoich.:	A2B3C5D21E29 (1)
Weight, g/mol:	435.019576
ΔH_f, kcal/mol:	-33.02
Dipole, Da:	2.91
IP(EA), eV:	-9.36(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]ethanone

Drug info:

PubChemData

Smile

C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)COC4=CC(=C(C=C4)C5=NOC(C5)C6=CC(=CC=C6)C(=O)O)Cl

DOS

IR

Vibrations