Geometry & MOs

Info

ID:	197392
PubChem CID:	78961890
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	270.98441
ΔH_f, kcal/mol:	-114.4
Dipole, Da:	6.58
IP(EA), eV:	-9.57(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(4-bromophenyl)-3-formamidopropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](CC(=O)O)NC=O

DOS

IR

Vibrations