Geometry & MOs

Info

ID:	298260
PubChem CID:	117648161
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	509.266299
ΔH_f, kcal/mol:	-73.13
Dipole, Da:	3.13
IP(EA), eV:	-8.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-[[5-cyano-3-fluoro-6-[[6-methyl-5-(triazol-2-yl)pyridin-3-yl]amino]pyridin-2-yl]amino]-4-methylpentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C)OC)NC(C2=O)(C)C

DOS

IR

Vibrations