Geometry & MOs

Info

ID:	164777
PubChem CID:	74451130
Reduced:	OSN5C24H32 (1)
Stoich.:	ABC5D24E32 (1)
Weight, g/mol:	328.199822
ΔH_f, kcal/mol:	10.21
Dipole, Da:	3.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.136911
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]-2-ethylbutanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC=NC(=C12)NC(C)C(=O)NCC3=CC=CC=C3C[NH+]4CCCCC4)C

DOS

IR

Vibrations