Geometry & MOs

Info

ID:	147784
PubChem CID:	53787442
Reduced:	FON4H25C26 (1)
Stoich.:	ABC4D25E26 (1)
Weight, g/mol:	540.251189
ΔH_f, kcal/mol:	48.8
Dipole, Da:	5.54
IP(EA), eV:	-8.95(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S,5S,6R)-3,4,5-tribenzyl-3,4,5,6,7-pentahydroxy-1-phenylheptan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=NCC2=CC(=NO2)C(C)C3=CC(=C(C=C3)C4=CC=CC=C4)F)N

DOS

IR

Vibrations