Geometry & MOs

Info

ID:	191821
PubChem CID:	78191090
Reduced:	SN3O4C28H47 (1)
Stoich.:	AB3C4D28E47 (1)
Weight, g/mol:	559.319226
ΔH_f, kcal/mol:	-217.12
Dipole, Da:	6.22
IP(EA), eV:	-8.98(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[benzenesulfonyl(2-methylpropyl)amino]-3-hydroxybutyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN(CC(CCN1CC2CCCCC2CC1C(=O)NC(C)(C)C)O)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations