Geometry & MOs

Info

ID:	309880
PubChem CID:	126563953
Reduced:	NO7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	401.147452
ΔH_f, kcal/mol:	-231.91
Dipole, Da:	4.98
IP(EA), eV:	-8.96(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4R,5S)-2-[(3-cyclohexa-2,4-dien-1-yl-2-oxochromen-7-yl)amino]-3,4,5,6-tetrahydroxyhexanal

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)N[C@H](C=O)[C@@H]([C@H]([C@H](CO)O)O)O)OC2=O

DOS

IR

Vibrations