Geometry & MOs

Info

ID:	343404
PubChem CID:	127266577
Reduced:	FN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	346.164105
ΔH_f, kcal/mol:	-127.81
Dipole, Da:	3.9
IP(EA), eV:	-8.64(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(4-amino-2-methyl-4-oxobutan-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)butanediamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)CCC(=O)N3CCC=C(C3)F

DOS

IR

Vibrations