Geometry & MOs

Info

ID:	140667
PubChem CID:	52739042
Reduced:	ClSN3O4C21H26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	447.138341
ΔH_f, kcal/mol:	-145.91
Dipole, Da:	3.61
IP(EA), eV:	-9.62(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-chlorobenzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NS(=O)(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations