Geometry & MOs

Info

ID:	261602
PubChem CID:	103241784
Reduced:	BrN2O2H4F5C7 (1)
Stoich.:	AB2C2D4E5F7 (1)
Weight, g/mol:	308.07356
ΔH_f, kcal/mol:	-302.72
Dipole, Da:	5.51
IP(EA), eV:	-9.7(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-[[3-(butan-2-ylamino)-3-oxopropyl]amino]propanoate

Drug info:

PubChemData

Smile

C1=NC(=C(C(=O)N1)Br)OCC(C(F)(F)F)(F)F

DOS

IR

Vibrations