Geometry & MOs

Info

ID:	36590
PubChem CID:	8009271
Reduced:	F3N6H11C13 (1)
Stoich.:	A3B6C11D13 (1)
Weight, g/mol:	395.069114
ΔH_f, kcal/mol:	-33.95
Dipole, Da:	3.22
IP(EA), eV:	-9.54(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 3-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=NC(=NC(=C3C=N2)NN)C(F)(F)F

DOS

IR

Vibrations