Geometry & MOs

Info

ID:	314947
PubChem CID:	126624000
Reduced:	FO3N6C28H29 (1)
Stoich.:	AB3C6D28E29 (1)
Weight, g/mol:	346.00768
ΔH_f, kcal/mol:	-91.77
Dipole, Da:	10.4
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-[(2-amino-6-bromopyridin-3-yl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C[C@H]([C@H]2C[C@H](CN2C(=O)CN3C=C(C4=C3C=CC(=C4)C5=CN=C(N=C5)C)C(=O)N)F)O

DOS

IR

Vibrations