Geometry & MOs

Info

ID:	306466
PubChem CID:	125012301
Reduced:	ClN3O5C24H30 (1)
Stoich.:	AB3C5D24E30 (1)
Weight, g/mol:	507.195855
ΔH_f, kcal/mol:	-151.1
Dipole, Da:	2.73
IP(EA), eV:	-9.33(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-chloro-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]butanamide

Drug info:

PubChemData

Smile

CCC1=CC(=NO1)C(=O)N2CCC[C@](C2)(CC(=O)N3CCOCC3)COC4=CC(=CC=C4)Cl

DOS

IR

Vibrations