Geometry & MOs

Info

ID:	191822
PubChem CID:	78191091
Reduced:	SO4N5C29H45 (1)
Stoich.:	AB4C5D29E45 (1)
Weight, g/mol:	474.255229
ΔH_f, kcal/mol:	-155.27
Dipole, Da:	8.92
IP(EA), eV:	-8.73(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[benzenesulfonyl(2-methylpropyl)amino]-2-benzyl-N-tert-butyl-4-hydroxypentanamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(CCN1CCN(CC1C(=O)NC(C)(C)C)CC2=CN=CC=C2)O)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations