Geometry & MOs

Info

ID:	61305
PubChem CID:	26708073
Reduced:	FSCl2N2O3H17C18 (1)
Stoich.:	ABC2D2E3F17G18 (1)
Weight, g/mol:	481.124232
ΔH_f, kcal/mol:	-129.97
Dipole, Da:	3.23
IP(EA), eV:	-9.25(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-N-[4-[2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]-1,3-thiazol-4-yl]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl)F

DOS

IR

Vibrations