Geometry & MOs

Info

ID:	303446
PubChem CID:	124489726
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	455.306039
ΔH_f, kcal/mol:	-52.82
Dipole, Da:	3.04
IP(EA), eV:	-8.99(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pentanamide

Drug info:

PubChemData

Smile

C1CN(CC2=C1SC=C2)C(=O)CC[C@H]3CC4=CC=CC=C4NC3=O

DOS

IR

Vibrations