Geometry & MOs

Info

ID:	243043
PubChem CID:	99215253
Reduced:	ClFNSO2H17C20 (1)
Stoich.:	ABCDE2F17G20 (1)
Weight, g/mol:	423.080826
ΔH_f, kcal/mol:	-63.59
Dipole, Da:	5.87
IP(EA), eV:	-9.16(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC(=O)N[C@H](C2=CC=C(C=C2)Cl)C3=CSC=C3)F

DOS

IR

Vibrations