Geometry & MOs

Info

ID:	127434
PubChem CID:	51002222
Reduced:	BrClN2O2H14C20 (1)
Stoich.:	ABC2D2E14F20 (1)
Weight, g/mol:	522.255229
ΔH_f, kcal/mol:	-3.6
Dipole, Da:	3.1
IP(EA), eV:	-8.75(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzenesulfonyl)-3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]-methylamino]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=CC3=C2C(=O)C(=C(N3)O)C4=CC(=CC=C4)Br)Cl

DOS

IR

Vibrations