Geometry & MOs

Info

ID:	326161
PubChem CID:	126686819
Reduced:	N2O3C11H24 (1)
Stoich.:	A2B3C11D24 (1)
Weight, g/mol:	435.158579
ΔH_f, kcal/mol:	-156.77
Dipole, Da:	2.69
IP(EA), eV:	-9.79(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-1,4-dihydropyrimidin-6-yl]amino]-1-(1,4-oxazepan-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCCCNO

DOS

IR

Vibrations