Geometry & MOs

Info

ID:	306579
PubChem CID:	125089170
Reduced:	FSN3O5C31H36 (1)
Stoich.:	ABC3D5E31F36 (1)
Weight, g/mol:	493.180205
ΔH_f, kcal/mol:	-202.62
Dipole, Da:	3.45
IP(EA), eV:	-8.93(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-2-[[2-(3-chloro-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N(CC(=O)N(CC2=CC=CC=C2F)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)S(=O)(=O)C

DOS

IR

Vibrations