Geometry & MOs

Info

ID:	449479
PubChem CID:	135298946
Reduced:	ClSO2F3N6H16C17 (1)
Stoich.:	ABC2D3E6F16G17 (1)
Weight, g/mol:	580.235556
ΔH_f, kcal/mol:	-143.52
Dipole, Da:	10.61
IP(EA), eV:	-8.26(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N'-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-N-[(2S)-1-(naphthalen-1-ylmethylamino)-1-oxopropan-2-yl]-2-oxopentanediamide

Drug info:

PubChemData

Smile

CCS(=O)C1=C(N=C(C=C1)NC(=O)NC)C2=NC3=CC(=NC(=C3N2C)Cl)C(F)(F)F

DOS

IR

Vibrations