Geometry & MOs

Info

ID:	298290
PubChem CID:	117648232
Reduced:	O2S2H16C19 (1)
Stoich.:	A2B2C16D19 (1)
Weight, g/mol:	545.292594
ΔH_f, kcal/mol:	0.89
Dipole, Da:	1.11
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-[[5-cyano-3-fluoro-6-[(5-fluoro-6-morpholin-4-ylpyridin-3-yl)amino]pyridin-2-yl]amino]heptan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC=C(C=C2)SC(=O)C=C)SC(=O)C=C

DOS

IR

Vibrations