Geometry & MOs

Info

ID:	83970
PubChem CID:	49862981
Reduced:	ON6H16C18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	501.219448
ΔH_f, kcal/mol:	95.0
Dipole, Da:	10.05
IP(EA), eV:	-9.06(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S)-2-[[3-(4-chlorophenyl)-2-(3-fluorophenyl)-2,7-diazaspiro[3.5]nonane-7-carbonyl]amino]-3-methylpentanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC2=NC=NC3=C2NC(=N3)C4=CN=CC=C4

DOS

IR

Vibrations