Geometry & MOs

Info

ID:	168132
PubChem CID:	74928336
Reduced:	OSN4H10C13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	300.129692
ΔH_f, kcal/mol:	103.71
Dipole, Da:	4.37
IP(EA), eV:	-9.48(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methyl-2-[(1,1,1-trifluoro-3-nitrobutan-2-yl)amino]pentanoate

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C2=NN=C(O2)C=CC3=CC=CC=C3

DOS

IR

Vibrations