Geometry & MOs

Info

ID:	325524
PubChem CID:	126683772
Reduced:	IF3N3O4C15H21 (1)
Stoich.:	AB3C3D4E15F21 (1)
Weight, g/mol:	493.261694
ΔH_f, kcal/mol:	-307.07
Dipole, Da:	6.65
IP(EA), eV:	-9.7(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[4-[(2R,4S)-2-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]-3,4-dihydro-2H-chromen-4-yl]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CCC1(C2CN(C(CN2N=C1I)C(F)(F)F)C(=O)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations