Geometry & MOs

Info

ID:	335628
PubChem CID:	127254490
Reduced:	SO2N7C17H17 (1)
Stoich.:	AB2C7D17E17 (1)
Weight, g/mol:	417.150012
ΔH_f, kcal/mol:	70.01
Dipole, Da:	9.46
IP(EA), eV:	-8.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC=C2C3=CSC(=N3)NC(=O)CCCN4C=NN=N4

DOS

IR

Vibrations