Geometry & MOs

Info

ID:	60218
PubChem CID:	26675921
Reduced:	SN2O6H20C23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	489.1536
ΔH_f, kcal/mol:	-103.14
Dipole, Da:	5.2
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-5-methoxybenzoyl]-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=NOC(=C2)C3=CC=CO3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations