Geometry & MOs

Info

ID:	372692
PubChem CID:	131302642
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	294.96556
ΔH_f, kcal/mol:	-93.21
Dipole, Da:	5.4
IP(EA), eV:	-8.63(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-amino-3-(2-bromo-4,5-difluorophenyl)-2-hydroxypropanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)[C@H]2CNC(=O)N2

DOS

IR

Vibrations