Geometry & MOs

Info

ID:	233584
PubChem CID:	91145514
Reduced:	OC10H18 (1)
Stoich.:	AB10C18 (1)
Weight, g/mol:	454.192629
ΔH_f, kcal/mol:	-63.35
Dipole, Da:	2.21
IP(EA), eV:	-10.11(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-tert-butyl-5-methoxy-2-(2-oxo-1H-pyridin-3-yl)phenyl]-3-phenylpropane-2-sulfonamide

Drug info:

PubChemData

Smile

CC1(CCCCC1)C(C=C)O

DOS

IR

Vibrations