Geometry & MOs

Info

ID:	306512
PubChem CID:	125084200
Reduced:	FSN3O4C30H36 (1)
Stoich.:	ABC3D4E30F36 (1)
Weight, g/mol:	535.250478
ΔH_f, kcal/mol:	-179.17
Dipole, Da:	6.77
IP(EA), eV:	-8.76(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[benzyl-[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(CC(=O)N(CC2=CC=CC=C2F)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)C3=CC=CC=C3)C

DOS

IR

Vibrations