Geometry & MOs

Info

ID:	332636
PubChem CID:	127250922
Reduced:	FSO3N5C18H18 (1)
Stoich.:	ABC3D5E18F18 (1)
Weight, g/mol:	370.121195
ΔH_f, kcal/mol:	-42.96
Dipole, Da:	9.12
IP(EA), eV:	-9.43(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(C2)C3=NC=NC=C3C4=NOC(=N4)C)F

DOS

IR

Vibrations