Geometry & MOs

Info

ID:	139705
PubChem CID:	52582661
Reduced:	SO2N5C23H27 (1)
Stoich.:	AB2C5D23E27 (1)
Weight, g/mol:	353.199094
ΔH_f, kcal/mol:	32.22
Dipole, Da:	18.4
IP(EA), eV:	-7.33(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[[cyclopropyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-4-methoxyphenyl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(N2CC(=O)N[C@H]3CCC[NH+](C3)CC4=CC=CC=C4)[S-]

DOS

IR

Vibrations