Geometry & MOs

Info

ID:	335718
PubChem CID:	127254580
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	492.164499
ΔH_f, kcal/mol:	38.8
Dipole, Da:	5.41
IP(EA), eV:	-8.79(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]-3-[5-(3-nitrophenyl)furan-2-yl]propanoate

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCCCCC(=O)NC2=CC=C(C=C2)C3=NC=NN3

DOS

IR

Vibrations