Geometry & MOs

Info

ID:	449965
PubChem CID:	135302858
Reduced:	N2O3C15H24 (1)
Stoich.:	A2B3C15D24 (1)
Weight, g/mol:	404.176087
ΔH_f, kcal/mol:	-125.04
Dipole, Da:	3.89
IP(EA), eV:	-8.74(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-N-[(4-cyano-2-fluorophenyl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5-azaspiro[2.5]octane-8-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)[C@H]([C@H](CO)NC(=C)OC(C)(C)C)O

DOS

IR

Vibrations