Geometry & MOs

Info

ID:	298278
PubChem CID:	117648213
Reduced:	SN3O3C17H29 (1)
Stoich.:	AB3C3D17E29 (1)
Weight, g/mol:	525.261214
ΔH_f, kcal/mol:	-136.88
Dipole, Da:	5.1
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=N1)N[S@](=O)C(C)(C)C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations