Geometry & MOs

Info

ID:	433362
PubChem CID:	135173499
Reduced:	INO3C8H16 (1)
Stoich.:	ABC3D8E16 (1)
Weight, g/mol:	702.337496
ΔH_f, kcal/mol:	-127.1
Dipole, Da:	5.2
IP(EA), eV:	-9.28(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-[2-[4-[[1-[2,6-difluoro-3-(propylsulfinylamino)phenyl]-3-(3-iminoprop-1-en-2-yl)pyrrolo[3,2-b]pyridin-5-yl]-methylamino]piperidin-1-yl]ethoxy]ethoxy]acetate

Drug info:

PubChemData

Smile

COCCCCCOCC(=O)NI

DOS

IR

Vibrations