Geometry & MOs

Info

ID:	298303
PubChem CID:	117648267
Reduced:	OSH9C10 (2)
Stoich.:	ABC9D10 (2)
Weight, g/mol:	595.251872
ΔH_f, kcal/mol:	-8.6
Dipole, Da:	1.39
IP(EA), eV:	-8.85(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-cyano-3-fluoro-6-[[1-(2-methoxyethyl)indazol-5-yl]amino]pyridin-2-yl]amino]-1-(3,4-difluorophenyl)propan-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)C

DOS

IR

Vibrations