Geometry & MOs

Info

ID:	297973
PubChem CID:	117644144
Reduced:	NO3C9H13 (2)
Stoich.:	AB3C9D13 (2)
Weight, g/mol:	461.208785
ΔH_f, kcal/mol:	-203.86
Dipole, Da:	4.43
IP(EA), eV:	-10.09(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2R)-1-amino-3-phenylpropan-2-yl]amino]-5-fluoro-2-[[6-methyl-5-(triazol-2-yl)pyridin-3-yl]amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C(CC)C1=C(C=CC(=C1)[N+](=O)[O-])C(=O)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations