Geometry & MOs

Info

ID:	336350
PubChem CID:	127255357
Reduced:	ON7C16H21 (1)
Stoich.:	AB7C16D21 (1)
Weight, g/mol:	515.166805
ΔH_f, kcal/mol:	57.37
Dipole, Da:	5.98
IP(EA), eV:	-9.33(-0.57)
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-(trifluoromethyl)phenyl]furan-2-yl]propanoate

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C1=NC2=CC=CC=C2N1)N3C=NN=N3

DOS

IR

Vibrations