Geometry & MOs

Info

ID:	435374
PubChem CID:	135191315
Reduced:	ON8C16H18 (1)
Stoich.:	AB8C16D18 (1)
Weight, g/mol:	436.109293
ΔH_f, kcal/mol:	75.3
Dipole, Da:	3.13
IP(EA), eV:	-8.23(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-N-[4-[5-hydroxy-3-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]-5-phenyl-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CN2C3=NC(=NC(=C3NC2=O)N)CN/C=C\N=C

DOS

IR

Vibrations