Geometry & MOs

Info

ID:	137494
PubChem CID:	52214371
Reduced:	FON4C18H23 (1)
Stoich.:	ABC4D18E23 (1)
Weight, g/mol:	425.054526
ΔH_f, kcal/mol:	-51.29
Dipole, Da:	3.4
IP(EA), eV:	-9.26(-0.07)
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] 2-amino-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)N[C@H](C2=CC(=CC=C2)F)C3=NC=CN3C

DOS

IR

Vibrations