Geometry & MOs

Info

ID:	140668
PubChem CID:	52739043
Reduced:	ClSN3O3C22H26 (1)
Stoich.:	ABC3D3E22F26 (1)
Weight, g/mol:	447.138341
ΔH_f, kcal/mol:	-101.58
Dipole, Da:	3.29
IP(EA), eV:	-8.81(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[[(2R)-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](CCSC)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations