Geometry & MOs

Info

ID:	314875
PubChem CID:	126623858
Reduced:	O4N5H21C22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	369.03242
ΔH_f, kcal/mol:	-50.36
Dipole, Da:	2.36
IP(EA), eV:	-9.34(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-bromo-3-methylpyridin-2-yl)carbamoyl]-5-(hydroxymethyl)-2-azabicyclo[3.1.0]hexane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4[C@@H]5C[C@@H]5C[C@H]4C(=O)O

DOS

IR

Vibrations