Geometry & MOs

Info

ID:	305012
PubChem CID:	124766426
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	396.11688
ΔH_f, kcal/mol:	-2.25
Dipole, Da:	2.48
IP(EA), eV:	-7.92(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4S,5S,6S)-4,5-diacetyloxy-6-(4-nitroanilino)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N3CCN([C@@H]4C3=C2CCC4)[C@H]5CCO5

DOS

IR

Vibrations