Geometry & MOs

Info

ID:	405243
PubChem CID:	135073182
Reduced:	N2O3C15H19 (1)
Stoich.:	A2B3C15D19 (1)
Weight, g/mol:	513.327666
ΔH_f, kcal/mol:	-45.27
Dipole, Da:	5.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.275028
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexylprop-2-enyl)-N-(4-cyclopropyl-4-hydroxybut-2-ynyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)(C)O/C(=C(\C=C\C1=CC=C(C=C1)OC)/[N+]#N)/O

DOS

IR

Vibrations