Geometry & MOs

Info

ID:	306553
PubChem CID:	125086742
Reduced:	NSO3C13H14 (2)
Stoich.:	ABC3D13E14 (2)
Weight, g/mol:	595.227156
ΔH_f, kcal/mol:	-187.57
Dipole, Da:	9.64
IP(EA), eV:	-8.76(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[benzyl-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](OC3=C2C=CC(=C3)C)C(=O)N[C@H](C)C4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations