Geometry & MOs

Info

ID:	245457
PubChem CID:	99445039
Reduced:	FN3O4C26H32 (1)
Stoich.:	AB3C4D26E32 (1)
Weight, g/mol:	417.115855
ΔH_f, kcal/mol:	-187.2
Dipole, Da:	2.33
IP(EA), eV:	-9.34(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-[2-fluoro-N-(furan-2-ylmethyl)anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

CCC(C)(C)C1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N(CC3=CC=CO3)C4=CC=CC=C4F

DOS

IR

Vibrations