Geometry & MOs

Info

ID:	67504
PubChem CID:	46506595
Reduced:	FN3O6H26C28 (1)
Stoich.:	AB3C6D26E28 (1)
Weight, g/mol:	557.252586
ΔH_f, kcal/mol:	-187.15
Dipole, Da:	7.15
IP(EA), eV:	-8.2(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(2,4-dimethoxyphenyl)carbamoyl]-8-methyl-2-(4-propan-2-ylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl butanoate

Drug info:

PubChemData

Smile

CCC(=O)OCC1=CN=C(C2=C1C=C(C(=NC3=CC=CC=C3F)O2)C(=O)NC4=C(C=C(C=C4)OC)OC)C

DOS

IR

Vibrations