Geometry & MOs

Info

ID:	298058
PubChem CID:	117647415
Reduced:	FO3N8C24H31 (1)
Stoich.:	AB3C8D24E31 (1)
Weight, g/mol:	459.264568
ΔH_f, kcal/mol:	-101.0
Dipole, Da:	2.97
IP(EA), eV:	-9.03(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-[[5-carbamoyl-6-(3,4-dimethylanilino)-3-fluoropyridin-2-yl]amino]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC(=CC=C2)N3C=CN=N3)C(=O)N)F

DOS

IR

Vibrations