Geometry & MOs

Info

ID:	62153
PubChem CID:	26717778
Reduced:	BrN2O6H21C22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	454.185235
ΔH_f, kcal/mol:	-126.34
Dipole, Da:	4.77
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]-5-(phenoxymethyl)furan-2-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C(=O)NNC(=O)C2=CC=C(O2)COC3=CC=CC=C3)Br)OC

DOS

IR

Vibrations