Geometry & MOs

Info

ID:	31845
PubChem CID:	3720871
Reduced:	O2F5N6H11C18 (1)
Stoich.:	A2B5C6D11E18 (1)
Weight, g/mol:	444.23727
ΔH_f, kcal/mol:	-128.65
Dipole, Da:	3.73
IP(EA), eV:	-9.14(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(2-acetamido-4-methylpent-4-enoyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=NN2CN3C=C(C=N3)NC(=O)COC4=C(C(=C(C(=C4F)F)F)F)F

DOS

IR

Vibrations