Geometry & MOs

Info

ID:	83978
PubChem CID:	49863016
Reduced:	FO2N3C29H42 (1)
Stoich.:	AB2C3D29E42 (1)
Weight, g/mol:	591.276693
ΔH_f, kcal/mol:	-143.4
Dipole, Da:	5.19
IP(EA), eV:	-8.77(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonylmethyl)-N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC(C)(CCN1CCC(CC1)F)N(CC2=CC3=CC=CC=C3N(C2=O)C)C(=O)C4CCCCC4

DOS

IR

Vibrations