Geometry & MOs

Info

ID:	186174
PubChem CID:	77399274
Reduced:	ON5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	380.110732
ΔH_f, kcal/mol:	23.43
Dipole, Da:	5.44
IP(EA), eV:	-9.1(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)ethyl 3-(2,4,6-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=CC=C2C(=O)N)C(=N1)NC3CNCCC3C4CC=CC=C4

DOS

IR

Vibrations