Geometry & MOs

Info

ID:	304456
PubChem CID:	124640511
Reduced:	NOCl2F3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	420.204907
ΔH_f, kcal/mol:	-215.25
Dipole, Da:	1.42
IP(EA), eV:	-9.86(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-[[(4R)-1-oxo-2-phenylspiro[4H-isoquinoline-3,1'-cyclohexane]-4-carbonyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(=O)N[C@H](CC(F)(F)F)C1=C(C=CC=C1Cl)Cl

DOS

IR

Vibrations