Geometry & MOs

Info

ID:	311374
PubChem CID:	126591229
Reduced:	NC25H37 (1)
Stoich.:	AB25C37 (1)
Weight, g/mol:	351.131802
ΔH_f, kcal/mol:	12.6
Dipole, Da:	2.6
IP(EA), eV:	-8.2(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[(3S,5S)-4,5-dihydroxy-2,6-bis(hydroxymethyl)oxan-3-yl]amino]-3-methylchromen-2-one

Drug info:

PubChemData

Smile

CCCC1(C(=C(CC=N1)C=C(C)CC)/C(=C\C2=C(C=CCC2)C)/CC)C

DOS

IR

Vibrations