Geometry & MOs

Info

ID:	309212
PubChem CID:	126540376
Reduced:	N4O5C24H42 (1)
Stoich.:	A4B5C24D42 (1)
Weight, g/mol:	540.259542
ΔH_f, kcal/mol:	-275.93
Dipole, Da:	5.71
IP(EA), eV:	-9.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[4-[4-[2-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]piperazin-1-yl]-3-fluorophenyl]-5-oxooxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)CCNC(=O)CNC(=O)N1CC(CC1C(=O)C2CCCN2C(=O)CC(C)(C)C)O

DOS

IR

Vibrations