Geometry & MOs

Info

ID:	160341
PubChem CID:	57309689
Reduced:	ClSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	602.313806
ΔH_f, kcal/mol:	-64.82
Dipole, Da:	6.04
IP(EA), eV:	-9.61(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-hydroxy-3-[3-methylbutanoyl-(pyrrolidine-2-carbonylamino)amino]-4-phenylbutyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCC1=C(C=CC=C1Cl)C2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations