Geometry & MOs

Info

ID:	268406
PubChem CID:	103599273
Reduced:	ClOSN6C19H21 (1)
Stoich.:	ABCD6E19F21 (1)
Weight, g/mol:	417.080409
ΔH_f, kcal/mol:	60.27
Dipole, Da:	7.43
IP(EA), eV:	-8.42(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-1-[1-(difluoromethyl)benzimidazol-2-yl]ethanimine

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)NCC2=NNC(=S)N2C(C)C)Cl)C3=CC=CC=C3

DOS

IR

Vibrations