Geometry & MOs

Info

ID:	335508
PubChem CID:	127254370
Reduced:	SN3O3C17H29 (1)
Stoich.:	AB3C3D17E29 (1)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	-129.98
Dipole, Da:	4.67
IP(EA), eV:	-8.66(0.15)
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-(4-methylsulfanylphenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1CCN(CC1)C(=O)CCCCCN2C=CC=C2

DOS

IR

Vibrations