Geometry & MOs

Info

ID:	190325
PubChem CID:	77985617
Reduced:	O3N10C31H48 (1)
Stoich.:	A3B10C31D48 (1)
Weight, g/mol:	457.173667
ΔH_f, kcal/mol:	-93.46
Dipole, Da:	5.56
IP(EA), eV:	-9.1(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-4-hydroxy-5-(3-naphthalen-2-ylprop-2-enyl)-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)CC(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NCCCCN=C(N)N

DOS

IR

Vibrations